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

C30H21FN4O — CID 155542861

IUPAC[2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)n1c(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C30H21FN4O/c1-20-9-5-6-12-24(20)30(36)35-27-14-8-7-13-26(27)32-29(35)25-19-34(23-10-3-2-4-11-23)33-28(25)21-15-17-22(31)18-16-21/h2-19H,1H3
InChIKeyFYTQHFBLSRYZPF-UHFFFAOYSA-N
MW472.52 g/mol
LogP6.69
Rot. Bonds4

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

[2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(2-methylphenyl)methanone (PubChem CID 155542861) has the molecular formula C30H21FN4O and a molecular weight of 472.52 g/mol. Its IUPAC name is [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(2-methylphenyl)methanone
PubChem CID155542861
Molecular FormulaC30H21FN4O
Molecular Weight472.52 g/mol
Exact Mass472.17
IUPAC Name[2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)n1c(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C30H21FN4O/c1-20-9-5-6-12-24(20)30(36)35-27-14-8-7-13-26(27)32-29(35)25-19-34(23-10-3-2-4-11-23)33-28(25)21-15-17-22(31)18-16-21/h2-19H,1H3
InChIKeyFYTQHFBLSRYZPF-UHFFFAOYSA-N
XLogP6.69
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.52
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-(1H-Benzimidazol-2-yl)-1H-pyrazol-4-yl)benzamide
CID 135566361
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
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
CID 23646206
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58945732
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
US9862707, Example 5
CID 118394045
7-[(2-Methylimidazol-1-yl)methyl]-2-[(2-methylpyridin-4-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 147934765
7-[(2-Methylimidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(pyridin-2-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 153238800
2-[(4-Ethylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-7-[(2-methylimidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 153572297
7-[(2-Methylimidazol-1-yl)methyl]-2-[(4-methylpyridin-2-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 153572325

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(2-methylphenyl)methanone (CID 155542861) is [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)n1c(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(2-methylphenyl)methanone?
The InChIKey is FYTQHFBLSRYZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21FN4O/c1-20-9-5-6-12-24(20)30(36)35-27-14-8-7-13-26(27)32-29(35)25-19-34(23-10-3-2-4-11-23)33-28(25)21-15-17-22(31)18-16-21/h2-19H,1H3.
What are the key properties of [2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(2-methylphenyl)methanone?
[2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzimidazol-1-yl]-(2-methylphenyl)methanone has a molecular weight of 472.52 g/mol, XLogP of 6.69, 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]-(2-methylphenyl)methanone is sourced from PubChem (CID 155542861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).