6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole

C13H14F3N3 — CID 63708519

IUPAC6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole
SMILESCc1ccc2nc(C3(C(F)(F)F)CCNC3)[nH]c2c1
InChIInChI=1S/C13H14F3N3/c1-8-2-3-9-10(6-8)19-11(18-9)12(13(14,15)16)4-5-17-7-12/h2-3,6,17H,4-5,7H2,1H3,(H,18,19)
InChIKeyVAVZQZKLALYNBI-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.66
Rot. Bonds1

About 6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole

6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole (PubChem CID 63708519) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole
PubChem CID63708519
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole
SMILESCc1ccc2nc(C3(C(F)(F)F)CCNC3)[nH]c2c1
InChIInChI=1S/C13H14F3N3/c1-8-2-3-9-10(6-8)19-11(18-9)12(13(14,15)16)4-5-17-7-12/h2-3,6,17H,4-5,7H2,1H3,(H,18,19)
InChIKeyVAVZQZKLALYNBI-UHFFFAOYSA-N
XLogP2.66
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-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 6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole?
The IUPAC name of 6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole (CID 63708519) is 6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole is Cc1ccc2nc(C3(C(F)(F)F)CCNC3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole?
The InChIKey is VAVZQZKLALYNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-8-2-3-9-10(6-8)19-11(18-9)12(13(14,15)16)4-5-17-7-12/h2-3,6,17H,4-5,7H2,1H3,(H,18,19).
What are the key properties of 6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole?
6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole has a molecular weight of 269.27 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 63708519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).