1-cyclopentyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide

C20H18F3N3O2 — CID 23515827

IUPAC1-cyclopentyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(-c1ccc(OC(F)(F)F)cc1)n2C1CCCC1
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)28-15-8-5-12(6-9-15)19-25-16-11-13(18(24)27)7-10-17(16)26(19)14-3-1-2-4-14/h5-11,14H,1-4H2,(H2,24,27)
InChIKeyZWEGRQBBEVNUJV-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.82
Rot. Bonds4

About 1-cyclopentyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide

1-cyclopentyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide (PubChem CID 23515827) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 1-cyclopentyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide
PubChem CID23515827
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name1-cyclopentyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(-c1ccc(OC(F)(F)F)cc1)n2C1CCCC1
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)28-15-8-5-12(6-9-15)19-25-16-11-13(18(24)27)7-10-17(16)26(19)14-3-1-2-4-14/h5-11,14H,1-4H2,(H2,24,27)
InChIKeyZWEGRQBBEVNUJV-UHFFFAOYSA-N
XLogP4.82
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopentyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide (CID 23515827) is 1-cyclopentyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)nc(-c1ccc(OC(F)(F)F)cc1)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide?
The InChIKey is ZWEGRQBBEVNUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c21-20(22,23)28-15-8-5-12(6-9-15)19-25-16-11-13(18(24)27)7-10-17(16)26(19)14-3-1-2-4-14/h5-11,14H,1-4H2,(H2,24,27).
What are the key properties of 1-cyclopentyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide?
1-cyclopentyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 23515827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).