1-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide

C24H20F3N3O2 — CID 23515836

IUPAC1-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(-c1ccc(-c3cccc(C(F)(F)F)c3)o1)n2C1CCCC1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)16-5-3-4-14(12-16)20-10-11-21(32-20)23-29-18-13-15(22(28)31)8-9-19(18)30(23)17-6-1-2-7-17/h3-5,8-13,17H,1-2,6-7H2,(H2,28,31)
InChIKeyPIKFCWUSQMWNCO-UHFFFAOYSA-N
MW439.44 g/mol
LogP6.20
Rot. Bonds4

About 1-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide

1-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide (PubChem CID 23515836) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 1-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide
PubChem CID23515836
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name1-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(-c1ccc(-c3cccc(C(F)(F)F)c3)o1)n2C1CCCC1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)16-5-3-4-14(12-16)20-10-11-21(32-20)23-29-18-13-15(22(28)31)8-9-19(18)30(23)17-6-1-2-7-17/h3-5,8-13,17H,1-2,6-7H2,(H2,28,31)
InChIKeyPIKFCWUSQMWNCO-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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Related Compounds

2-Furan-2-yl-1-methyl-1H-naphtho[2,3-d]imidazole
CID 649492
2-(5-{4-[amino(Imino)methyl]phenyl}-2-Furyl)-1h-Benzimidazole-5-Carboximidamide
CID 459929
2-(1-Benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]-1H-benzimidazole
CID 25208249
(S)-2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydrofuran-2-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 44561006
1-((furan-2-yl)methyl)-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-amine
CID 16227113
1-Cyclohexyl-2-(2-furyl)benzimidazole-5-carboxylic acid
CID 491108
[2-Methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone
CID 874125
1-(4-ethoxyphenyl)-N-(2-furylmethyl)-2-methyl-1H-benzimidazole-5-carboxamide
CID 3236955
1-(2-ethoxyphenyl)-N-(2-furylmethyl)-1H-benzimidazole-5-carboxamide
CID 3244934
N-(2-furylmethyl)-1-(2-methoxyphenyl)-1H-benzimidazole-5-carboxamide
CID 3245536
1-(4-ethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
CID 4103825
(E)-2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 5873904

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide (CID 23515836) is 1-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)nc(-c1ccc(-c3cccc(C(F)(F)F)c3)o1)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide?
The InChIKey is PIKFCWUSQMWNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c25-24(26,27)16-5-3-4-14(12-16)20-10-11-21(32-20)23-29-18-13-15(22(28)31)8-9-19(18)30(23)17-6-1-2-7-17/h3-5,8-13,17H,1-2,6-7H2,(H2,28,31).
What are the key properties of 1-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide?
1-cyclopentyl-2-[5-[3-(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-[3-(trifluoromethyl)phenyl]furan-2-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 23515836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).