5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol

C16H11ClN4O — CID 135857251

IUPAC5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
SMILESOc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C16H11ClN4O/c17-10-6-7-11-12(8-10)19-16(18-11)14-15(22)13(20-21-14)9-4-2-1-3-5-9/h1-8,22H,(H,18,19)(H,20,21)
InChIKeyHQERCJNCHLYMON-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.98
Rot. Bonds2

About 5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol

5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol (PubChem CID 135857251) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
PubChem CID135857251
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
SMILESOc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C16H11ClN4O/c17-10-6-7-11-12(8-10)19-16(18-11)14-15(22)13(20-21-14)9-4-2-1-3-5-9/h1-8,22H,(H,18,19)(H,20,21)
InChIKeyHQERCJNCHLYMON-UHFFFAOYSA-N
XLogP3.98
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-5-phenyl-1H-pyrazol-3-yl)-1H-benzoimidazole-5-carboxamidine
CID 135403661
3-(1H-imidazo[4,5-c]pyridin-2-yl)-5-phenyl-1H-pyrazol-4-ol
CID 135988780
2-[5-(4-chlorophenyl)-4-hydroxy-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-benzimidazole-5-carboximidamide
CID 135857264
6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile
CID 135857312
ethyl N-[2-[5-(4-chlorophenyl)-4-hydroxy-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3H-benzimidazole-5-carboximidoyl]carbamate
CID 135857386
5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
CID 135857413
5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
CID 135988639
CID 135988647
CID 135988647
3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol
CID 135988808
6-fluoro-2-[4-hydroxy-3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole-5-carbonitrile
CID 136467745
6-chloro-2-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929676
5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole
CID 136929679

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol?
The IUPAC name of 5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol (CID 135857251) is 5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol.
What is the SMILES notation for 5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol?
The canonical SMILES for 5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol is Oc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol?
The InChIKey is HQERCJNCHLYMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c17-10-6-7-11-12(8-10)19-16(18-11)14-15(22)13(20-21-14)9-4-2-1-3-5-9/h1-8,22H,(H,18,19)(H,20,21).
What are the key properties of 5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol?
5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol has a molecular weight of 310.74 g/mol, XLogP of 3.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol is sourced from PubChem (CID 135857251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).