2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine

C13H16F3N3 — CID 134452341

IUPAC2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine
SMILESCc1cc(C(F)(F)F)c2nc(CC(C)(C)N)[nH]c2c1
InChIInChI=1S/C13H16F3N3/c1-7-4-8(13(14,15)16)11-9(5-7)18-10(19-11)6-12(2,3)17/h4-5H,6,17H2,1-3H3,(H,18,19)
InChIKeyBYQDJVICNIBROA-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.17
Rot. Bonds2

About 2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine

2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine (PubChem CID 134452341) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine
PubChem CID134452341
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine
SMILESCc1cc(C(F)(F)F)c2nc(CC(C)(C)N)[nH]c2c1
InChIInChI=1S/C13H16F3N3/c1-7-4-8(13(14,15)16)11-9(5-7)18-10(19-11)6-12(2,3)17/h4-5H,6,17H2,1-3H3,(H,18,19)
InChIKeyBYQDJVICNIBROA-UHFFFAOYSA-N
XLogP3.17
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine 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 2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine?
The IUPAC name of 2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine (CID 134452341) is 2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine is Cc1cc(C(F)(F)F)c2nc(CC(C)(C)N)[nH]c2c1.
What is the InChIKey of 2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine?
The InChIKey is BYQDJVICNIBROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-7-4-8(13(14,15)16)11-9(5-7)18-10(19-11)6-12(2,3)17/h4-5H,6,17H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine?
2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine has a molecular weight of 271.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-amine is sourced from PubChem (CID 134452341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).