1-(4-chlorophenyl)-6-[2-(4-fluorophenyl)pyrazol-3-yl]benzimidazole;6-[2-(4-fluorophenyl)pyrazol-3-yl]-1-[4-(trifluoromethyl)phenyl]benzimidazole

C45H28ClF5N8 — CID 90095133

IUPAC1-(4-chlorophenyl)-6-[2-(4-fluorophenyl)pyrazol-3-yl]benzimidazole;6-[2-(4-fluorophenyl)pyrazol-3-yl]-1-[4-(trifluoromethyl)phenyl]benzimidazole
SMILESFc1ccc(-n2nccc2-c2ccc3ncn(-c4ccc(C(F)(F)F)cc4)c3c2)cc1.Fc1ccc(-n2nccc2-c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)cc1
InChIInChI=1S/C23H14F4N4.C22H14ClFN4/c24-17-4-8-19(9-5-17)31-21(11-12-29-31)15-1-10-20-22(13-15)30(14-28-20)18-6-2-16(3-7-18)23(25,26)27;23-16-2-6-18(7-3-16)27-14-25-20-10-1-15(13-22(20)27)21-11-12-26-28(21)19-8-4-17(24)5-9-19/h1-14H;1-14H
InChIKeySCYYCLAVFLSFLQ-UHFFFAOYSA-N
MW811.22 g/mol
LogP11.71
Rot. Bonds6

About 1-(4-chlorophenyl)-6-[2-(4-fluorophenyl)pyrazol-3-yl]benzimidazole;6-[2-(4-fluorophenyl)pyrazol-3-yl]-1-[4-(trifluoromethyl)phenyl]benzimidazole

1-(4-chlorophenyl)-6-[2-(4-fluorophenyl)pyrazol-3-yl]benzimidazole;6-[2-(4-fluorophenyl)pyrazol-3-yl]-1-[4-(trifluoromethyl)phenyl]benzimidazole (PubChem CID 90095133) has the molecular formula C45H28ClF5N8 and a molecular weight of 811.22 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-[2-(4-fluorophenyl)pyrazol-3-yl]benzimidazole;6-[2-(4-fluorophenyl)pyrazol-3-yl]-1-[4-(trifluoromethyl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-[2-(4-fluorophenyl)pyrazol-3-yl]benzimidazole;6-[2-(4-fluorophenyl)pyrazol-3-yl]-1-[4-(trifluoromethyl)phenyl]benzimidazole
PubChem CID90095133
Molecular FormulaC45H28ClF5N8
Molecular Weight811.22 g/mol
Exact Mass810.20
IUPAC Name1-(4-chlorophenyl)-6-[2-(4-fluorophenyl)pyrazol-3-yl]benzimidazole;6-[2-(4-fluorophenyl)pyrazol-3-yl]-1-[4-(trifluoromethyl)phenyl]benzimidazole
SMILESFc1ccc(-n2nccc2-c2ccc3ncn(-c4ccc(C(F)(F)F)cc4)c3c2)cc1.Fc1ccc(-n2nccc2-c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)cc1
InChIInChI=1S/C23H14F4N4.C22H14ClFN4/c24-17-4-8-19(9-5-17)31-21(11-12-29-31)15-1-10-20-22(13-15)30(14-28-20)18-6-2-16(3-7-18)23(25,26)27;23-16-2-6-18(7-3-16)27-14-25-20-10-1-15(13-22(20)27)21-11-12-26-28(21)19-8-4-17(24)5-9-19/h1-14H;1-14H
InChIKeySCYYCLAVFLSFLQ-UHFFFAOYSA-N
XLogP11.71
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.22
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(4-chlorophenyl)-6-[2-(4-fluorophenyl)pyrazol-3-yl]benzimidazole;6-[2-(4-fluorophenyl)pyrazol-3-yl]-1-[4-(trifluoromethyl)phenyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-[2-(4-fluorophenyl)pyrazol-3-yl]benzimidazole;6-[2-(4-fluorophenyl)pyrazol-3-yl]-1-[4-(trifluoromethyl)phenyl]benzimidazole?
The IUPAC name of 1-(4-chlorophenyl)-6-[2-(4-fluorophenyl)pyrazol-3-yl]benzimidazole;6-[2-(4-fluorophenyl)pyrazol-3-yl]-1-[4-(trifluoromethyl)phenyl]benzimidazole (CID 90095133) is 1-(4-chlorophenyl)-6-[2-(4-fluorophenyl)pyrazol-3-yl]benzimidazole;6-[2-(4-fluorophenyl)pyrazol-3-yl]-1-[4-(trifluoromethyl)phenyl]benzimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)-6-[2-(4-fluorophenyl)pyrazol-3-yl]benzimidazole;6-[2-(4-fluorophenyl)pyrazol-3-yl]-1-[4-(trifluoromethyl)phenyl]benzimidazole?
The canonical SMILES for 1-(4-chlorophenyl)-6-[2-(4-fluorophenyl)pyrazol-3-yl]benzimidazole;6-[2-(4-fluorophenyl)pyrazol-3-yl]-1-[4-(trifluoromethyl)phenyl]benzimidazole is Fc1ccc(-n2nccc2-c2ccc3ncn(-c4ccc(C(F)(F)F)cc4)c3c2)cc1.Fc1ccc(-n2nccc2-c2ccc3ncn(-c4ccc(Cl)cc4)c3c2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6-[2-(4-fluorophenyl)pyrazol-3-yl]benzimidazole;6-[2-(4-fluorophenyl)pyrazol-3-yl]-1-[4-(trifluoromethyl)phenyl]benzimidazole?
The InChIKey is SCYYCLAVFLSFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F4N4.C22H14ClFN4/c24-17-4-8-19(9-5-17)31-21(11-12-29-31)15-1-10-20-22(13-15)30(14-28-20)18-6-2-16(3-7-18)23(25,26)27;23-16-2-6-18(7-3-16)27-14-25-20-10-1-15(13-22(20)27)21-11-12-26-28(21)19-8-4-17(24)5-9-19/h1-14H;1-14H.
What are the key properties of 1-(4-chlorophenyl)-6-[2-(4-fluorophenyl)pyrazol-3-yl]benzimidazole;6-[2-(4-fluorophenyl)pyrazol-3-yl]-1-[4-(trifluoromethyl)phenyl]benzimidazole?
1-(4-chlorophenyl)-6-[2-(4-fluorophenyl)pyrazol-3-yl]benzimidazole;6-[2-(4-fluorophenyl)pyrazol-3-yl]-1-[4-(trifluoromethyl)phenyl]benzimidazole has a molecular weight of 811.22 g/mol, XLogP of 11.71, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-[2-(4-fluorophenyl)pyrazol-3-yl]benzimidazole;6-[2-(4-fluorophenyl)pyrazol-3-yl]-1-[4-(trifluoromethyl)phenyl]benzimidazole is sourced from PubChem (CID 90095133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).