1-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole

C30H23FN4O — CID 164625835

IUPAC1-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3n2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C30H23FN4O/c1-36-25-17-13-22(14-18-25)29-26(20-35(33-29)24-7-3-2-4-8-24)30-32-27-9-5-6-10-28(27)34(30)19-21-11-15-23(31)16-12-21/h2-18,20H,19H2,1H3
InChIKeyHIADQSGHAIPJFO-UHFFFAOYSA-N
MW474.54 g/mol
LogP6.75
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole

1-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole (PubChem CID 164625835) has the molecular formula C30H23FN4O and a molecular weight of 474.54 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole
PubChem CID164625835
Molecular FormulaC30H23FN4O
Molecular Weight474.54 g/mol
Exact Mass474.19
IUPAC Name1-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3n2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C30H23FN4O/c1-36-25-17-13-22(14-18-25)29-26(20-35(33-29)24-7-3-2-4-8-24)30-32-27-9-5-6-10-28(27)34(30)19-21-11-15-23(31)16-12-21/h2-18,20H,19H2,1H3
InChIKeyHIADQSGHAIPJFO-UHFFFAOYSA-N
XLogP6.75
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.54
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole (CID 164625835) is 1-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole is COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3n2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole?
The InChIKey is HIADQSGHAIPJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN4O/c1-36-25-17-13-22(14-18-25)29-26(20-35(33-29)24-7-3-2-4-8-24)30-32-27-9-5-6-10-28(27)34(30)19-21-11-15-23(31)16-12-21/h2-18,20H,19H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole?
1-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole has a molecular weight of 474.54 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole is sourced from PubChem (CID 164625835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).