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

C22H17N5 — CID 139193786

IUPAC2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole
SMILESc1ccc(Cn2nc(-c3ccccc3)c(-c3nc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C22H17N5/c1-3-9-16(10-4-1)15-27-25-20(17-11-5-2-6-12-17)21(26-27)22-23-18-13-7-8-14-19(18)24-22/h1-14H,15H2,(H,23,24)
InChIKeyAQMMXEAYFZCLHM-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.54
Rot. Bonds4

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

2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole (PubChem CID 139193786) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole
PubChem CID139193786
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC Name2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole
SMILESc1ccc(Cn2nc(-c3ccccc3)c(-c3nc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C22H17N5/c1-3-9-16(10-4-1)15-27-25-20(17-11-5-2-6-12-17)21(26-27)22-23-18-13-7-8-14-19(18)24-22/h1-14H,15H2,(H,23,24)
InChIKeyAQMMXEAYFZCLHM-UHFFFAOYSA-N
XLogP4.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
N-(1H-benzimidazol-2-ylmethyl)-1-[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methanamine
CID 125114678
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile
CID 135988762
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole
CID 749986
2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
CID 168554361
4-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol
CID 155812966
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-benzimidazole
CID 50879804

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole?
The IUPAC name of 2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole (CID 139193786) is 2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole is c1ccc(Cn2nc(-c3ccccc3)c(-c3nc4ccccc4[nH]3)n2)cc1.
What is the InChIKey of 2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole?
The InChIKey is AQMMXEAYFZCLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c1-3-9-16(10-4-1)15-27-25-20(17-11-5-2-6-12-17)21(26-27)22-23-18-13-7-8-14-19(18)24-22/h1-14H,15H2,(H,23,24).
What are the key properties of 2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole?
2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole has a molecular weight of 351.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 139193786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).