1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole

C18H17N5 — CID 135227903

IUPAC1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole
SMILESCc1nnn(C)c1-c1ccc2ncn(Cc3ccccc3)c2c1
InChIInChI=1S/C18H17N5/c1-13-18(22(2)21-20-13)15-8-9-16-17(10-15)23(12-19-16)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3
InChIKeyJWMRZBFYRRSOPQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.19
Rot. Bonds3

About 1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole

1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole (PubChem CID 135227903) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole.

Molecular Properties

Compound Name1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole
PubChem CID135227903
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole
SMILESCc1nnn(C)c1-c1ccc2ncn(Cc3ccccc3)c2c1
InChIInChI=1S/C18H17N5/c1-13-18(22(2)21-20-13)15-8-9-16-17(10-15)23(12-19-16)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3
InChIKeyJWMRZBFYRRSOPQ-UHFFFAOYSA-N
XLogP3.19
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[(1-benzylimidazol-2-yl)methyl]benzimidazole
CID 174431389
4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine
CID 62209553
3-benzylimidazo[4,5-b]pyridine
CID 11009167
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532
1-benzyl-7-methylbenzimidazole
CID 10933051
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 112684885
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
1-[(5-methyl-3-pyridinyl)methyl]benzimidazole
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1-benzyl-5-methoxybenzimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole?
The IUPAC name of 1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole (CID 135227903) is 1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole.
What is the SMILES notation for 1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole?
The canonical SMILES for 1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole is Cc1nnn(C)c1-c1ccc2ncn(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole?
The InChIKey is JWMRZBFYRRSOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-13-18(22(2)21-20-13)15-8-9-16-17(10-15)23(12-19-16)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole?
1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole has a molecular weight of 303.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(3,5-dimethyltriazol-4-yl)benzimidazole is sourced from PubChem (CID 135227903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).