2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole

C11H11F3N2 — CID 146359516

IUPAC2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole
SMILESCc1nc2c(n1C)=CC=C(C(F)(F)F)CC=2
InChIInChI=1S/C11H11F3N2/c1-7-15-9-5-3-8(11(12,13)14)4-6-10(9)16(7)2/h4-6H,3H2,1-2H3
InChIKeyNNCHGPNAAABZIA-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.18
Rot. Bonds

About 2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole

2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole (PubChem CID 146359516) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole.

Molecular Properties

Compound Name2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole
PubChem CID146359516
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole
SMILESCc1nc2c(n1C)=CC=C(C(F)(F)F)CC=2
InChIInChI=1S/C11H11F3N2/c1-7-15-9-5-3-8(11(12,13)14)4-6-10(9)16(7)2/h4-6H,3H2,1-2H3
InChIKeyNNCHGPNAAABZIA-UHFFFAOYSA-N
XLogP1.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole 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 2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole?
The IUPAC name of 2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole (CID 146359516) is 2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole.
What is the SMILES notation for 2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole?
The canonical SMILES for 2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole is Cc1nc2c(n1C)=CC=C(C(F)(F)F)CC=2.
What is the InChIKey of 2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole?
The InChIKey is NNCHGPNAAABZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-7-15-9-5-3-8(11(12,13)14)4-6-10(9)16(7)2/h4-6H,3H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole?
2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole has a molecular weight of 228.22 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole is sourced from PubChem (CID 146359516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).