2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide

C18H14ClN5O2 — CID 135988661

IUPAC2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
SMILESCn1nc(-c2cccc(Cl)c2)c(O)c1-c1nc2ccc(C(N)=O)cc2[nH]1
InChIInChI=1S/C18H14ClN5O2/c1-24-15(16(25)14(23-24)9-3-2-4-11(19)7-9)18-21-12-6-5-10(17(20)26)8-13(12)22-18/h2-8,25H,1H3,(H2,20,26)(H,21,22)
InChIKeyCFACYZNPDRDNLK-UHFFFAOYSA-N
MW367.80 g/mol
LogP3.09
Rot. Bonds3

About 2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide

2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 135988661) has the molecular formula C18H14ClN5O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
PubChem CID135988661
Molecular FormulaC18H14ClN5O2
Molecular Weight367.80 g/mol
Exact Mass367.08
IUPAC Name2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
SMILESCn1nc(-c2cccc(Cl)c2)c(O)c1-c1nc2ccc(C(N)=O)cc2[nH]1
InChIInChI=1S/C18H14ClN5O2/c1-24-15(16(25)14(23-24)9-3-2-4-11(19)7-9)18-21-12-6-5-10(17(20)26)8-13(12)22-18/h2-8,25H,1H3,(H2,20,26)(H,21,22)
InChIKeyCFACYZNPDRDNLK-UHFFFAOYSA-N
XLogP3.09
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(4-cyclopropylphenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
CID 135857348
methyl N-[[4-[5-(6-carbamoyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylpyrazol-3-yl]phenyl]methyl]carbamate
CID 135988697
2-[5-[4-(azidomethyl)phenyl]-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
CID 136988244
2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
CID 135988800
2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide;methane;2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
CID 158194954
[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate
CID 135988871
2-[5-(4-chlorophenyl)-2-ethyl-4-hydroxypyrazol-3-yl]-3H-benzimidazole-5-carboximidamide
CID 135988870
5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol
CID 135988793
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
5-N-[2-(3-chlorophenyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4,5-dicarboxamide
CID 165368486
2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690329
2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 11394800

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide (CID 135988661) is 2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide is Cn1nc(-c2cccc(Cl)c2)c(O)c1-c1nc2ccc(C(N)=O)cc2[nH]1.
What is the InChIKey of 2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is CFACYZNPDRDNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2/c1-24-15(16(25)14(23-24)9-3-2-4-11(19)7-9)18-21-12-6-5-10(17(20)26)8-13(12)22-18/h2-8,25H,1H3,(H2,20,26)(H,21,22).
What are the key properties of 2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide?
2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 367.80 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135988661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).