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

C120H90N24O9 — CID 157321586

IUPAC2-(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
SMILESN#Cc1ccc2nc(-c3c(O)c(-c4ccccc4)nn3Cc3ccccc3)[nH]c2c1.N#Cc1ccc2nc(-c3nn(Cc4ccccc4)c(-c4ccccc4)c3O)[nH]c2c1.NC(=O)c1ccc2nc(-c3c(O)c(-c4ccccc4)nn3Cc3ccccc3)[nH]c2c1.NC(=O)c1ccc2nc(-c3nn(Cc4ccccc4)c(-c4ccccc4)c3O)[nH]c2c1.O=C(O)c1ccc2nc(-c3nn(Cc4ccccc4)c(-c4ccccc4)c3O)[nH]c2c1
InChIInChI=1S/2C24H19N5O2.2C24H17N5O.C24H18N4O3/c25-23(31)17-11-12-18-19(13-17)27-24(26-18)20-22(30)21(16-9-5-2-6-10-16)29(28-20)14-15-7-3-1-4-8-15;25-23(31)17-11-12-18-19(13-17)27-24(26-18)21-22(30)20(16-9-5-2-6-10-16)28-29(21)14-15-7-3-1-4-8-15;25-14-17-11-12-19-20(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;25-14-17-11-12-19-20(13-17)27-24(26-19)22-23(30)21(18-9-5-2-6-10-18)28-29(22)15-16-7-3-1-4-8-16;29-22-20(23-25-18-12-11-17(24(30)31)13-19(18)26-23)27-28(14-15-7-3-1-4-8-15)21(22)16-9-5-2-6-10-16/h2*1-13,30H,14H2,(H2,25,31)(H,26,27);2*1-13,30H,15H2,(H,26,27);1-13,29H,14H2,(H,25,26)(H,30,31)
InChIKeyBEFOATMLTICOOI-UHFFFAOYSA-N
MW2012.20 g/mol
LogP21.88
Rot. Bonds23

About 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

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 (PubChem CID 157321586) has the molecular formula C120H90N24O9 and a molecular weight of 2012.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID157321586
Molecular FormulaC120H90N24O9
Molecular Weight2012.20 g/mol
Exact Mass2010.73
IUPAC Name2-(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
SMILESN#Cc1ccc2nc(-c3c(O)c(-c4ccccc4)nn3Cc3ccccc3)[nH]c2c1.N#Cc1ccc2nc(-c3nn(Cc4ccccc4)c(-c4ccccc4)c3O)[nH]c2c1.NC(=O)c1ccc2nc(-c3c(O)c(-c4ccccc4)nn3Cc3ccccc3)[nH]c2c1.NC(=O)c1ccc2nc(-c3nn(Cc4ccccc4)c(-c4ccccc4)c3O)[nH]c2c1.O=C(O)c1ccc2nc(-c3nn(Cc4ccccc4)c(-c4ccccc4)c3O)[nH]c2c1
InChIInChI=1S/2C24H19N5O2.2C24H17N5O.C24H18N4O3/c25-23(31)17-11-12-18-19(13-17)27-24(26-18)20-22(30)21(16-9-5-2-6-10-16)29(28-20)14-15-7-3-1-4-8-15;25-23(31)17-11-12-18-19(13-17)27-24(26-18)21-22(30)20(16-9-5-2-6-10-16)28-29(21)14-15-7-3-1-4-8-15;25-14-17-11-12-19-20(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;25-14-17-11-12-19-20(13-17)27-24(26-19)22-23(30)21(18-9-5-2-6-10-18)28-29(22)15-16-7-3-1-4-8-16;29-22-20(23-25-18-12-11-17(24(30)31)13-19(18)26-23)27-28(14-15-7-3-1-4-8-15)21(22)16-9-5-2-6-10-16/h2*1-13,30H,14H2,(H2,25,31)(H,26,27);2*1-13,30H,15H2,(H,26,27);1-13,29H,14H2,(H,25,26)(H,30,31)
InChIKeyBEFOATMLTICOOI-UHFFFAOYSA-N
XLogP21.88
TPSA504.71 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002012.20
LogP ≤ 521.88
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Related Compounds

2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile
CID 135988762
2-[2-[[5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-bromophenyl)-4-hydroxypyrazol-1-yl]methyl]-4-hydroxy-5-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-3-yl]-3H-benzimidazole-5-carboxamide
CID 143898597
2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
CID 135988661
2-[4-[(1-benzylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 11524997
2-[5-(4-chlorophenyl)-2-ethyl-4-hydroxypyrazol-3-yl]-3H-benzimidazole-5-carboximidamide
CID 135988870
2-[5-[4-(azidomethyl)phenyl]-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
CID 136988244
methyl N-[[4-[5-(6-carbamoyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylpyrazol-3-yl]phenyl]methyl]carbamate
CID 135988697
2-[5-(4-cyclopropylphenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
CID 135857348
2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
CID 135988800
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
2-[5-(4-bromophenyl)-2-ethyl-4-hydroxypyrazol-3-yl]-3H-benzimidazole-5-carboximidamide
CID 135857263
benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole
CID 67481934

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc2nc(-c3c(O)c(-c4ccccc4)nn3Cc3ccccc3)[nH]c2c1.N#Cc1ccc2nc(-c3nn(Cc4ccccc4)c(-c4ccccc4)c3O)[nH]c2c1.NC(=O)c1ccc2nc(-c3c(O)c(-c4ccccc4)nn3Cc3ccccc3)[nH]c2c1.NC(=O)c1ccc2nc(-c3nn(Cc4ccccc4)c(-c4ccccc4)c3O)[nH]c2c1.O=C(O)c1ccc2nc(-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;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?
The InChIKey is BEFOATMLTICOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H19N5O2.2C24H17N5O.C24H18N4O3/c25-23(31)17-11-12-18-19(13-17)27-24(26-18)20-22(30)21(16-9-5-2-6-10-16)29(28-20)14-15-7-3-1-4-8-15;25-23(31)17-11-12-18-19(13-17)27-24(26-18)21-22(30)20(16-9-5-2-6-10-16)28-29(21)14-15-7-3-1-4-8-15;25-14-17-11-12-19-20(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;25-14-17-11-12-19-20(13-17)27-24(26-19)22-23(30)21(18-9-5-2-6-10-18)28-29(22)15-16-7-3-1-4-8-16;29-22-20(23-25-18-12-11-17(24(30)31)13-19(18)26-23)27-28(14-15-7-3-1-4-8-15)21(22)16-9-5-2-6-10-16/h2*1-13,30H,14H2,(H2,25,31)(H,26,27);2*1-13,30H,15H2,(H,26,27);1-13,29H,14H2,(H,25,26)(H,30,31).
What are the key properties of 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?
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 has a molecular weight of 2012.20 g/mol, XLogP of 21.88, 23 rotatable bonds, 13 hydrogen bond donors, and 25 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;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 is sourced from PubChem (CID 157321586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).