[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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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).