3-cyclopropyl-2-[4-(trifluoromethyl)-3-pyridinyl]benzimidazole-5-carbonitrile

C17H11F3N4 — CID 121458631

IUPAC3-cyclopropyl-2-[4-(trifluoromethyl)-3-pyridinyl]benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cnccc3C(F)(F)F)n(C3CC3)c2c1
InChIInChI=1S/C17H11F3N4/c18-17(19,20)13-5-6-22-9-12(13)16-23-14-4-1-10(8-21)7-15(14)24(16)11-2-3-11/h1,4-7,9,11H,2-3H2
InChIKeyGBSBYARYDRQDEA-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.32
Rot. Bonds2

About 3-cyclopropyl-2-[4-(trifluoromethyl)-3-pyridinyl]benzimidazole-5-carbonitrile

3-cyclopropyl-2-[4-(trifluoromethyl)-3-pyridinyl]benzimidazole-5-carbonitrile (PubChem CID 121458631) has the molecular formula C17H11F3N4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 3-cyclopropyl-2-[4-(trifluoromethyl)-3-pyridinyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name3-cyclopropyl-2-[4-(trifluoromethyl)-3-pyridinyl]benzimidazole-5-carbonitrile
PubChem CID121458631
Molecular FormulaC17H11F3N4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name3-cyclopropyl-2-[4-(trifluoromethyl)-3-pyridinyl]benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cnccc3C(F)(F)F)n(C3CC3)c2c1
InChIInChI=1S/C17H11F3N4/c18-17(19,20)13-5-6-22-9-12(13)16-23-14-4-1-10(8-21)7-15(14)24(16)11-2-3-11/h1,4-7,9,11H,2-3H2
InChIKeyGBSBYARYDRQDEA-UHFFFAOYSA-N
XLogP4.32
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-2-[4-(trifluoromethyl)-3-pyridinyl]benzimidazole-5-carbonitrile 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-cyclopropyl-2-[4-(trifluoromethyl)-3-pyridinyl]benzimidazole-5-carbonitrile?
The IUPAC name of 3-cyclopropyl-2-[4-(trifluoromethyl)-3-pyridinyl]benzimidazole-5-carbonitrile (CID 121458631) is 3-cyclopropyl-2-[4-(trifluoromethyl)-3-pyridinyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 3-cyclopropyl-2-[4-(trifluoromethyl)-3-pyridinyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 3-cyclopropyl-2-[4-(trifluoromethyl)-3-pyridinyl]benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3cnccc3C(F)(F)F)n(C3CC3)c2c1.
What is the InChIKey of 3-cyclopropyl-2-[4-(trifluoromethyl)-3-pyridinyl]benzimidazole-5-carbonitrile?
The InChIKey is GBSBYARYDRQDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4/c18-17(19,20)13-5-6-22-9-12(13)16-23-14-4-1-10(8-21)7-15(14)24(16)11-2-3-11/h1,4-7,9,11H,2-3H2.
What are the key properties of 3-cyclopropyl-2-[4-(trifluoromethyl)-3-pyridinyl]benzimidazole-5-carbonitrile?
3-cyclopropyl-2-[4-(trifluoromethyl)-3-pyridinyl]benzimidazole-5-carbonitrile has a molecular weight of 328.30 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[4-(trifluoromethyl)-3-pyridinyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 121458631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).