A1JGF

[1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazol-3-yl]methanamine

Created:	2025-06-11
Last modified:	2025-07-09

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1 entries where A1JGF is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	21

2D diagram of A1JGF

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Chemical Component Summary
Name	[1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazol-3-yl]methanamine
Systematic Name (OpenEye OEToolkits)	[1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazol-3-yl]methanamine
Formula	C₁₈ H₁₇ Cl N₆
Molecular Weight	352.821
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NCc1ncn(Cc2nc3cc(Cl)ccc3n2Cc4ccccc4)n1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Cn2c3ccc(cc3nc2Cn4cnc(n4)CN)Cl
Canonical SMILES	CACTVS	3.385	NCc1ncn(Cc2nc3cc(Cl)ccc3n2Cc4ccccc4)n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Cn2c3ccc(cc3nc2Cn4cnc(n4)CN)Cl
InChI	InChI	1.06	InChI=1S/C18H17ClN6/c19-14-6-7-16-15(8-14)22-18(11-24-12-21-17(9-20)23-24)25(16)10-13-4-2-1-3-5-13/h1-8,12H,9-11,20H2
InChIKey	InChI	1.06	AJMPAXTYEVALRO-UHFFFAOYSA-N

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