[2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-phenylmethanone

C29H19FN4O — CID 155523090

IUPAC[2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1c(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C29H19FN4O/c30-22-17-15-20(16-18-22)27-24(19-33(32-27)23-11-5-2-6-12-23)28-31-25-13-7-8-14-26(25)34(28)29(35)21-9-3-1-4-10-21/h1-19H
InChIKeyXYICVIVXSAGSPX-UHFFFAOYSA-N
MW458.50 g/mol
LogP6.38
Rot. Bonds4

About [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-phenylmethanone

[2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-phenylmethanone (PubChem CID 155523090) has the molecular formula C29H19FN4O and a molecular weight of 458.50 g/mol. Its IUPAC name is [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-phenylmethanone
PubChem CID155523090
Molecular FormulaC29H19FN4O
Molecular Weight458.50 g/mol
Exact Mass458.15
IUPAC Name[2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1c(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C29H19FN4O/c30-22-17-15-20(16-18-22)27-24(19-33(32-27)23-11-5-2-6-12-23)28-31-25-13-7-8-14-26(25)34(28)29(35)21-9-3-1-4-10-21/h1-19H
InChIKeyXYICVIVXSAGSPX-UHFFFAOYSA-N
XLogP6.38
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.50
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-methyl-1H-pyrazole-5-carboxamide
CID 23644671
N-(3-(1H-Benzimidazol-2-yl)-1H-pyrazol-4-yl)benzamide
CID 135566361
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
2-[6-(diethylamino)pyridin-3-yl]-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N-methyl-1H-1,3-benzodiazole-5-carboxamide
CID 138466007
7-(2-(1H-Imidazol-1-yl)-5-methylimidazo(1,5-b)pyridazin-7-yl)-1-phenyl-1-heptanone
CID 189892
1-{3-[Amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-YL)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 5287439
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23646188
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(1H-1,2,3-triazol-1-ylmethyl)-1H-pyrazole-5-carboxamide
CID 23646204
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 23646206
3-Cyclohexyl-1,8-dimethyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-6,8-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-7-one
CID 10027595
1,8-Dimethyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-3-phenyl-6,8-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-7-one
CID 10322057
N-{1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-yl}-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3237988

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-phenylmethanone?
The IUPAC name of [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-phenylmethanone (CID 155523090) is [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-phenylmethanone?
The canonical SMILES for [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-phenylmethanone is O=C(c1ccccc1)n1c(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-phenylmethanone?
The InChIKey is XYICVIVXSAGSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19FN4O/c30-22-17-15-20(16-18-22)27-24(19-33(32-27)23-11-5-2-6-12-23)28-31-25-13-7-8-14-26(25)34(28)29(35)21-9-3-1-4-10-21/h1-19H.
What are the key properties of [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-phenylmethanone?
[2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-phenylmethanone has a molecular weight of 458.50 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-phenylmethanone is sourced from PubChem (CID 155523090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).