2-(2-benzyl-5-phenyltriazol-4-yl)-6-methoxy-1H-benzimidazole

C23H19N5O — CID 139193788

IUPAC2-(2-benzyl-5-phenyltriazol-4-yl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3nn(Cc4ccccc4)nc3-c3ccccc3)[nH]c2c1
InChIInChI=1S/C23H19N5O/c1-29-18-12-13-19-20(14-18)25-23(24-19)22-21(17-10-6-3-7-11-17)26-28(27-22)15-16-8-4-2-5-9-16/h2-14H,15H2,1H3,(H,24,25)
InChIKeyWJBJGHDKMGYNAS-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.55
Rot. Bonds5

About 2-(2-benzyl-5-phenyltriazol-4-yl)-6-methoxy-1H-benzimidazole

2-(2-benzyl-5-phenyltriazol-4-yl)-6-methoxy-1H-benzimidazole (PubChem CID 139193788) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(2-benzyl-5-phenyltriazol-4-yl)-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-benzyl-5-phenyltriazol-4-yl)-6-methoxy-1H-benzimidazole
PubChem CID139193788
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name2-(2-benzyl-5-phenyltriazol-4-yl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(-c3nn(Cc4ccccc4)nc3-c3ccccc3)[nH]c2c1
InChIInChI=1S/C23H19N5O/c1-29-18-12-13-19-20(14-18)25-23(24-19)22-21(17-10-6-3-7-11-17)26-28(27-22)15-16-8-4-2-5-9-16/h2-14H,15H2,1H3,(H,24,25)
InChIKeyWJBJGHDKMGYNAS-UHFFFAOYSA-N
XLogP4.55
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
5-methoxy-2-methyl-1H-1,3-benzodiazole
CID 3509826
6-methoxy-2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9797585
2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-ol
CID 9839919
methyl N-[6-(4-{[(3-ethylphenyl)carbamoyl]amino}phenoxy)-1H-1,3-benzodiazol-2-yl]carbamate
CID 10160775
N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
5-methoxy-2-phenyl-1H-benzimidazole
CID 745079
1-(2,3-Dibenzimidazol-2-ylpropyl)-2-methoxybenzene
CID 2907920
3-Methoxy-4-{3-[4-(4-Methylpiperazin-1-Yl)-1h-Benzimidazol-2-Yl]-1h-Indazol-6-Yl}aniline
CID 135566450
3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-2-methyl-propenyl)-phenylamine
CID 44274930
3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-propenyl)-phenylamine
CID 44274931
3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-propenyl)-phenylamine
CID 44275249

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-5-phenyltriazol-4-yl)-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-(2-benzyl-5-phenyltriazol-4-yl)-6-methoxy-1H-benzimidazole (CID 139193788) is 2-(2-benzyl-5-phenyltriazol-4-yl)-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-(2-benzyl-5-phenyltriazol-4-yl)-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-(2-benzyl-5-phenyltriazol-4-yl)-6-methoxy-1H-benzimidazole is COc1ccc2nc(-c3nn(Cc4ccccc4)nc3-c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-(2-benzyl-5-phenyltriazol-4-yl)-6-methoxy-1H-benzimidazole?
The InChIKey is WJBJGHDKMGYNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-29-18-12-13-19-20(14-18)25-23(24-19)22-21(17-10-6-3-7-11-17)26-28(27-22)15-16-8-4-2-5-9-16/h2-14H,15H2,1H3,(H,24,25).
What are the key properties of 2-(2-benzyl-5-phenyltriazol-4-yl)-6-methoxy-1H-benzimidazole?
2-(2-benzyl-5-phenyltriazol-4-yl)-6-methoxy-1H-benzimidazole has a molecular weight of 381.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-5-phenyltriazol-4-yl)-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 139193788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).