HAN

2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-1-PENTANOIC ACID

Created:	2004-12-30
Last modified:	2011-06-04

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2 entries where HAN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	10

2D diagram of HAN

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Chemical Component Summary
Name	2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE-1-PENTANOIC ACID
Systematic Name (OpenEye OEToolkits)	5-(2-amino-5,6-dimethyl-benzimidazol-1-yl)pentanoic acid
Formula	C₁₄ H₁₉ N₃ O₂
Molecular Weight	261.32
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCCCn1c2cc(c(cc2nc1N)C)C
SMILES	CACTVS	3.341	Cc1cc2nc(N)n(CCCCC(O)=O)c2cc1C
SMILES	OpenEye OEToolkits	1.5.0	Cc1cc2c(cc1C)n(c(n2)N)CCCCC(=O)O
Canonical SMILES	CACTVS	3.341	Cc1cc2nc(N)n(CCCCC(O)=O)c2cc1C
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1cc2c(cc1C)n(c(n2)N)CCCCC(=O)O
InChI	InChI	1.03	InChI=1S/C14H19N3O2/c1-9-7-11-12(8-10(9)2)17(14(15)16-11)6-4-3-5-13(18)19/h7-8H,3-6H2,1-2H3,(H2,15,16)(H,18,19)
InChIKey	InChI	1.03	ONFQTORHROMJSV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	657047
ChEBI	CHEBI:43007

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