2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile

C24H17N5O — CID 135988762

IUPAC2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3nn(Cc4ccccc4)c(-c4ccccc4)c3O)[nH]c2c1
InChIInChI=1S/C24H17N5O/c25-14-17-11-12-19-20(13-17)27-24(26-19)21-23(30)22(18-9-5-2-6-10-18)29(28-21)15-16-7-3-1-4-8-16/h1-13,30H,15H2,(H,26,27)
InChIKeyHFOSZLYPHZSUPN-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.72
Rot. Bonds4

About 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile

2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile (PubChem CID 135988762) has the molecular formula C24H17N5O and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile
PubChem CID135988762
Molecular FormulaC24H17N5O
Molecular Weight391.43 g/mol
Exact Mass391.14
IUPAC Name2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3nn(Cc4ccccc4)c(-c4ccccc4)c3O)[nH]c2c1
InChIInChI=1S/C24H17N5O/c25-14-17-11-12-19-20(13-17)27-24(26-19)21-23(30)22(18-9-5-2-6-10-18)29(28-21)15-16-7-3-1-4-8-16/h1-13,30H,15H2,(H,26,27)
InChIKeyHFOSZLYPHZSUPN-UHFFFAOYSA-N
XLogP4.72
TPSA90.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile;2-(2-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile;2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide;2-(2-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide;2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid
CID 157321586
2-(2-benzyl-5-phenyltriazol-4-yl)-1H-benzimidazole
CID 139193786
2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile
CID 11209127
2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile
CID 107356609
4-(6-hydroxy-1H-benzimidazol-2-yl)benzonitrile
CID 81431797
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile
CID 79004134
2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-6-phenyl-1H-benzimidazole
CID 135875994
2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile
CID 69437638
3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile
CID 168554018
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908144
6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride
CID 14518404

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile (CID 135988762) is 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3nn(Cc4ccccc4)c(-c4ccccc4)c3O)[nH]c2c1.
What is the InChIKey of 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is HFOSZLYPHZSUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O/c25-14-17-11-12-19-20(13-17)27-24(26-19)21-23(30)22(18-9-5-2-6-10-18)29(28-21)15-16-7-3-1-4-8-16/h1-13,30H,15H2,(H,26,27).
What are the key properties of 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile?
2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 391.43 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 135988762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).