2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide

C14H15F3N4O — CID 11961006

IUPAC2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
SMILESCC1(c2nc3c(C(N)=O)cc(C(F)(F)F)cc3[nH]2)CCCN1
InChIInChI=1S/C14H15F3N4O/c1-13(3-2-4-19-13)12-20-9-6-7(14(15,16)17)5-8(11(18)22)10(9)21-12/h5-6,19H,2-4H2,1H3,(H2,18,22)(H,20,21)
InChIKeyZSMHEAVFVSTGHJ-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.28
Rot. Bonds2

About 2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide

2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide (PubChem CID 11961006) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
PubChem CID11961006
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
SMILESCC1(c2nc3c(C(N)=O)cc(C(F)(F)F)cc3[nH]2)CCCN1
InChIInChI=1S/C14H15F3N4O/c1-13(3-2-4-19-13)12-20-9-6-7(14(15,16)17)5-8(11(18)22)10(9)21-12/h5-6,19H,2-4H2,1H3,(H2,18,22)(H,20,21)
InChIKeyZSMHEAVFVSTGHJ-UHFFFAOYSA-N
XLogP2.28
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Veliparib
CID 11960529
2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 9925908
2-[(2s)-2-Methylpyrrolidin-2-Yl]-1h-Benzimidazole-7-Carboxamide
CID 11842604
2-(2-methyl-2-pyrrolidinyl)-1H-benzimidazole-4-carboxamide
CID 11960528
2-(1-cyclopentylazepan-4-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 25190738
2-(1,3-dimethylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 25190749
6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
CID 135566422
(R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo(d)imidazole-4-carboxamide dihydrochloride
CID 45480520
2-(piperidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 9795674
2-(1-methylpiperidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 9817572
2-(piperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 9903811
2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 9925900

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide (CID 11961006) is 2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide is CC1(c2nc3c(C(N)=O)cc(C(F)(F)F)cc3[nH]2)CCCN1.
What is the InChIKey of 2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is ZSMHEAVFVSTGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-13(3-2-4-19-13)12-20-9-6-7(14(15,16)17)5-8(11(18)22)10(9)21-12/h5-6,19H,2-4H2,1H3,(H2,18,22)(H,20,21).
What are the key properties of 2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrolidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11961006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).