1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide

C19H16F3N3O — CID 23515639

IUPAC1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(-c1ccc(F)c(F)c1F)n2C1CCCC1
InChIInChI=1S/C19H16F3N3O/c20-13-7-6-12(16(21)17(13)22)19-24-14-9-10(18(23)26)5-8-15(14)25(19)11-3-1-2-4-11/h5-9,11H,1-4H2,(H2,23,26)
InChIKeyZEACROXUURXKCB-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.33
Rot. Bonds3

About 1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide

1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide (PubChem CID 23515639) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide
PubChem CID23515639
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(-c1ccc(F)c(F)c1F)n2C1CCCC1
InChIInChI=1S/C19H16F3N3O/c20-13-7-6-12(16(21)17(13)22)19-24-14-9-10(18(23)26)5-8-15(14)25(19)11-3-1-2-4-11/h5-9,11H,1-4H2,(H2,23,26)
InChIKeyZEACROXUURXKCB-UHFFFAOYSA-N
XLogP4.33
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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CID 5328471
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CID 11961002
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide (CID 23515639) is 1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)nc(-c1ccc(F)c(F)c1F)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide?
The InChIKey is ZEACROXUURXKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c20-13-7-6-12(16(21)17(13)22)19-24-14-9-10(18(23)26)5-8-15(14)25(19)11-3-1-2-4-11/h5-9,11H,1-4H2,(H2,23,26).
What are the key properties of 1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide?
1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2,3,4-trifluorophenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 23515639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).