A1CF0

N-[(1H-imidazol-4-yl)methyl]aniline

Created:	2025-06-09
Last modified:	2025-11-05

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1 entries where A1CF0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	11

2D diagram of A1CF0

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Chemical Component Summary
Name	N-[(1H-imidazol-4-yl)methyl]aniline
Systematic Name (OpenEye OEToolkits)	~{N}-(1~{H}-imidazol-4-ylmethyl)aniline
Formula	C₁₀ H₁₁ N₃
Molecular Weight	173.214
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	c1ccccc1NCc1c[NH]cn1
SMILES	CACTVS	3.385	C(Nc1ccccc1)c2c[nH]cn2
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)NCc2c[nH]cn2
Canonical SMILES	CACTVS	3.385	C(Nc1ccccc1)c2c[nH]cn2
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)NCc2c[nH]cn2
InChI	InChI	1.06	InChI=1S/C10H11N3/c1-2-4-9(5-3-1)12-7-10-6-11-8-13-10/h1-6,8,12H,7H2,(H,11,13)
InChIKey	InChI	1.06	AUZUSOIPPYQZQA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2206401
PubChem	13178307
ChEMBL	CHEMBL2206401

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.