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

C16H10ClFN4O — CID 135857413

IUPAC5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
SMILESOc1c(-c2ccccc2)n[nH]c1-c1nc2cc(Cl)c(F)cc2[nH]1
InChIInChI=1S/C16H10ClFN4O/c17-9-6-11-12(7-10(9)18)20-16(19-11)14-15(23)13(21-22-14)8-4-2-1-3-5-8/h1-7,23H,(H,19,20)(H,21,22)
InChIKeyQJGRXCIXUNWHLR-UHFFFAOYSA-N
MW328.73 g/mol
LogP4.12
Rot. Bonds2

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

5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol (PubChem CID 135857413) has the molecular formula C16H10ClFN4O and a molecular weight of 328.73 g/mol. Its IUPAC name is 5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
PubChem CID135857413
Molecular FormulaC16H10ClFN4O
Molecular Weight328.73 g/mol
Exact Mass328.05
IUPAC Name5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
SMILESOc1c(-c2ccccc2)n[nH]c1-c1nc2cc(Cl)c(F)cc2[nH]1
InChIInChI=1S/C16H10ClFN4O/c17-9-6-11-12(7-10(9)18)20-16(19-11)14-15(23)13(21-22-14)8-4-2-1-3-5-8/h1-7,23H,(H,19,20)(H,21,22)
InChIKeyQJGRXCIXUNWHLR-UHFFFAOYSA-N
XLogP4.12
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.73
LogP ≤ 54.12
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-(6-chloro-1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
CID 135820419
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-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
CID 135988639
CID 135988647
CID 135988647
5-[6-(aminomethyl)-5-fluoro-1H-benzimidazol-2-yl]-1-methyl-3-(4-methylphenyl)pyrazol-4-ol
CID 135988724
3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenyl-2H-pyrrol-4-ol
CID 135988753
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

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol?
The IUPAC name of 5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol (CID 135857413) is 5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol.
What is the SMILES notation for 5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol?
The canonical SMILES for 5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol is Oc1c(-c2ccccc2)n[nH]c1-c1nc2cc(Cl)c(F)cc2[nH]1.
What is the InChIKey of 5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol?
The InChIKey is QJGRXCIXUNWHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4O/c17-9-6-11-12(7-10(9)18)20-16(19-11)14-15(23)13(21-22-14)8-4-2-1-3-5-8/h1-7,23H,(H,19,20)(H,21,22).
What are the key properties of 5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol?
5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol has a molecular weight of 328.73 g/mol, XLogP of 4.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol is sourced from PubChem (CID 135857413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).