1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole

C14H16F3N3 — CID 81455525

IUPAC1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole
SMILESCC1NCCC1c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C14H16F3N3/c1-8-10(5-6-18-8)13-19-11-7-9(14(15,16)17)3-4-12(11)20(13)2/h3-4,7-8,10,18H,5-6H2,1-2H3
InChIKeyCXWFSYDJWKAEHZ-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.06
Rot. Bonds1

About 1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole

1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole (PubChem CID 81455525) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole
PubChem CID81455525
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole
SMILESCC1NCCC1c1nc2cc(C(F)(F)F)ccc2n1C
InChIInChI=1S/C14H16F3N3/c1-8-10(5-6-18-8)13-19-11-7-9(14(15,16)17)3-4-12(11)20(13)2/h3-4,7-8,10,18H,5-6H2,1-2H3
InChIKeyCXWFSYDJWKAEHZ-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole 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 1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole (CID 81455525) is 1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole is CC1NCCC1c1nc2cc(C(F)(F)F)ccc2n1C.
What is the InChIKey of 1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole?
The InChIKey is CXWFSYDJWKAEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-8-10(5-6-18-8)13-19-11-7-9(14(15,16)17)3-4-12(11)20(13)2/h3-4,7-8,10,18H,5-6H2,1-2H3.
What are the key properties of 1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole?
1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole has a molecular weight of 283.30 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylpyrrolidin-3-yl)-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 81455525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).