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

CID 11960529
CID 11960529
CID 9925908
CID 9925908
CID 25190738
CID 25190738
CID 25190749
CID 25190749
CID 135566422
CID 135566422
CID 45480520
CID 45480520
CID 9795674
CID 9795674
CID 9817572
CID 9817572
CID 9903811
CID 9903811
CID 9925900
CID 9925900
CID 10130109
CID 10130109
CID 10823781
CID 10823781

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).