3-(4-chlorophenyl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzimidazole-5-carboxamide

C26H17ClF3N3O2 — CID 166379734

IUPAC3-(4-chlorophenyl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzimidazole-5-carboxamide
SMILESO=C(NCc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C26H17ClF3N3O2/c27-19-5-7-20(8-6-19)33-15-32-22-10-4-17(13-23(22)33)25(34)31-14-21-9-11-24(35-21)16-2-1-3-18(12-16)26(28,29)30/h1-13,15H,14H2,(H,31,34)
InChIKeyIZQBINQQNYNLGU-UHFFFAOYSA-N
MW495.89 g/mol
LogP6.89
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzimidazole-5-carboxamide

3-(4-chlorophenyl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzimidazole-5-carboxamide (PubChem CID 166379734) has the molecular formula C26H17ClF3N3O2 and a molecular weight of 495.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzimidazole-5-carboxamide
PubChem CID166379734
Molecular FormulaC26H17ClF3N3O2
Molecular Weight495.89 g/mol
Exact Mass495.10
IUPAC Name3-(4-chlorophenyl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzimidazole-5-carboxamide
SMILESO=C(NCc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C26H17ClF3N3O2/c27-19-5-7-20(8-6-19)33-15-32-22-10-4-17(13-23(22)33)25(34)31-14-21-9-11-24(35-21)16-2-1-3-18(12-16)26(28,29)30/h1-13,15H,14H2,(H,31,34)
InChIKeyIZQBINQQNYNLGU-UHFFFAOYSA-N
XLogP6.89
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.89
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzimidazole-5-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 3-(4-chlorophenyl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzimidazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzimidazole-5-carboxamide (CID 166379734) is 3-(4-chlorophenyl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzimidazole-5-carboxamide is O=C(NCc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzimidazole-5-carboxamide?
The InChIKey is IZQBINQQNYNLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF3N3O2/c27-19-5-7-20(8-6-19)33-15-32-22-10-4-17(13-23(22)33)25(34)31-14-21-9-11-24(35-21)16-2-1-3-18(12-16)26(28,29)30/h1-13,15H,14H2,(H,31,34).
What are the key properties of 3-(4-chlorophenyl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzimidazole-5-carboxamide?
3-(4-chlorophenyl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzimidazole-5-carboxamide has a molecular weight of 495.89 g/mol, XLogP of 6.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 166379734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).