N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C24H16F3N5O — CID 16579150

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C24H16F3N5O/c25-24(26,27)21-18(14-28-32(21)17-6-2-1-3-7-17)23(33)29-16-12-10-15(11-13-16)22-30-19-8-4-5-9-20(19)31-22/h1-14H,(H,29,33)(H,30,31)
InChIKeyMPEBOSIRRGDIPR-UHFFFAOYSA-N
MW447.42 g/mol
LogP5.69
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 16579150) has the molecular formula C24H16F3N5O and a molecular weight of 447.42 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID16579150
Molecular FormulaC24H16F3N5O
Molecular Weight447.42 g/mol
Exact Mass447.13
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C24H16F3N5O/c25-24(26,27)21-18(14-28-32(21)17-6-2-1-3-7-17)23(33)29-16-12-10-15(11-13-16)22-30-19-8-4-5-9-20(19)31-22/h1-14H,(H,29,33)(H,30,31)
InChIKeyMPEBOSIRRGDIPR-UHFFFAOYSA-N
XLogP5.69
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.42
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide 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 N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 16579150) is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is MPEBOSIRRGDIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O/c25-24(26,27)21-18(14-28-32(21)17-6-2-1-3-7-17)23(33)29-16-12-10-15(11-13-16)22-30-19-8-4-5-9-20(19)31-22/h1-14H,(H,29,33)(H,30,31).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 447.42 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 16579150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).