2-(1H-benzimidazol-2-yl)-1-(4-hydroxy-1-methyl-3-phenylpyrazol-5-yl)ethanone

C19H16N4O2 — CID 58188729

IUPAC2-(1H-benzimidazol-2-yl)-1-(4-hydroxy-1-methyl-3-phenylpyrazol-5-yl)ethanone
SMILESCn1nc(-c2ccccc2)c(O)c1C(=O)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C19H16N4O2/c1-23-18(19(25)17(22-23)12-7-3-2-4-8-12)15(24)11-16-20-13-9-5-6-10-14(13)21-16/h2-10,25H,11H2,1H3,(H,20,21)
InChIKeyHJCZCYNXTYBXOS-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.09
Rot. Bonds4

About 2-(1H-benzimidazol-2-yl)-1-(4-hydroxy-1-methyl-3-phenylpyrazol-5-yl)ethanone

2-(1H-benzimidazol-2-yl)-1-(4-hydroxy-1-methyl-3-phenylpyrazol-5-yl)ethanone (PubChem CID 58188729) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-1-(4-hydroxy-1-methyl-3-phenylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-1-(4-hydroxy-1-methyl-3-phenylpyrazol-5-yl)ethanone
PubChem CID58188729
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-(1H-benzimidazol-2-yl)-1-(4-hydroxy-1-methyl-3-phenylpyrazol-5-yl)ethanone
SMILESCn1nc(-c2ccccc2)c(O)c1C(=O)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C19H16N4O2/c1-23-18(19(25)17(22-23)12-7-3-2-4-8-12)15(24)11-16-20-13-9-5-6-10-14(13)21-16/h2-10,25H,11H2,1H3,(H,20,21)
InChIKeyHJCZCYNXTYBXOS-UHFFFAOYSA-N
XLogP3.09
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-benzimidazol-2-yl)acetate
CID 6955878
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)-3H-benzimidazol-5-yl] formate
CID 135988871
4-(1H-benzimidazol-2-yl)-3-methylbutanoic acid
CID 12789249
5-hydroxy-2-methyl-4,6-diphenylpyridazin-3-one
CID 54677994
5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol
CID 135988793
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788
tetrakis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);tetrakis(cobalt(2+));ethanol;octaacetate
CID 139070067
S-(1H-benzimidazol-2-ylmethyl) 4-phenylbenzenecarbothioate bromide
CID 45109754
2-(1H-benzimidazol-2-yl)-1-(4-nitrophenyl)ethanone
CID 3749366
2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 11200714
2-(6-chloro-1H-benzimidazol-2-yl)-1-[4-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-yl]ethanone
CID 58188431

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-1-(4-hydroxy-1-methyl-3-phenylpyrazol-5-yl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-1-(4-hydroxy-1-methyl-3-phenylpyrazol-5-yl)ethanone (CID 58188729) is 2-(1H-benzimidazol-2-yl)-1-(4-hydroxy-1-methyl-3-phenylpyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-1-(4-hydroxy-1-methyl-3-phenylpyrazol-5-yl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-1-(4-hydroxy-1-methyl-3-phenylpyrazol-5-yl)ethanone is Cn1nc(-c2ccccc2)c(O)c1C(=O)Cc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-1-(4-hydroxy-1-methyl-3-phenylpyrazol-5-yl)ethanone?
The InChIKey is HJCZCYNXTYBXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-23-18(19(25)17(22-23)12-7-3-2-4-8-12)15(24)11-16-20-13-9-5-6-10-14(13)21-16/h2-10,25H,11H2,1H3,(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-yl)-1-(4-hydroxy-1-methyl-3-phenylpyrazol-5-yl)ethanone?
2-(1H-benzimidazol-2-yl)-1-(4-hydroxy-1-methyl-3-phenylpyrazol-5-yl)ethanone has a molecular weight of 332.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-1-(4-hydroxy-1-methyl-3-phenylpyrazol-5-yl)ethanone is sourced from PubChem (CID 58188729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).