1-cyclopentyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide

C24H20F3N3O2 — CID 23515832

IUPAC1-cyclopentyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(-c1ccc(-c3ccccc3C(F)(F)F)o1)n2C1CCCC1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)17-8-4-3-7-16(17)20-11-12-21(32-20)23-29-18-13-14(22(28)31)9-10-19(18)30(23)15-5-1-2-6-15/h3-4,7-13,15H,1-2,5-6H2,(H2,28,31)
InChIKeyNXQGEEDCYNZHOV-UHFFFAOYSA-N
MW439.44 g/mol
LogP6.20
Rot. Bonds4

About 1-cyclopentyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide

1-cyclopentyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide (PubChem CID 23515832) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 1-cyclopentyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide
PubChem CID23515832
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name1-cyclopentyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(-c1ccc(-c3ccccc3C(F)(F)F)o1)n2C1CCCC1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)17-8-4-3-7-16(17)20-11-12-21(32-20)23-29-18-13-14(22(28)31)9-10-19(18)30(23)15-5-1-2-6-15/h3-4,7-13,15H,1-2,5-6H2,(H2,28,31)
InChIKeyNXQGEEDCYNZHOV-UHFFFAOYSA-N
XLogP6.20
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopentyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide (CID 23515832) is 1-cyclopentyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)nc(-c1ccc(-c3ccccc3C(F)(F)F)o1)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide?
The InChIKey is NXQGEEDCYNZHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c25-24(26,27)17-8-4-3-7-16(17)20-11-12-21(32-20)23-29-18-13-14(22(28)31)9-10-19(18)30(23)15-5-1-2-6-15/h3-4,7-13,15H,1-2,5-6H2,(H2,28,31).
What are the key properties of 1-cyclopentyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide?
1-cyclopentyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 23515832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).