1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole

C11H11F3N2 — CID 146359473

IUPAC1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole
SMILESCc1nc2c(n1C)=CCC=C(C(F)(F)F)C=2
InChIInChI=1S/C11H11F3N2/c1-7-15-9-6-8(11(12,13)14)4-3-5-10(9)16(7)2/h4-6H,3H2,1-2H3
InChIKeyHQJKEKLDYGSJSX-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.18
Rot. Bonds

About 1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole

1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole (PubChem CID 146359473) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole.

Molecular Properties

Compound Name1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole
PubChem CID146359473
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole
SMILESCc1nc2c(n1C)=CCC=C(C(F)(F)F)C=2
InChIInChI=1S/C11H11F3N2/c1-7-15-9-6-8(11(12,13)14)4-3-5-10(9)16(7)2/h4-6H,3H2,1-2H3
InChIKeyHQJKEKLDYGSJSX-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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole?
The IUPAC name of 1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole (CID 146359473) is 1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole.
What is the SMILES notation for 1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole?
The canonical SMILES for 1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole is Cc1nc2c(n1C)=CCC=C(C(F)(F)F)C=2.
What is the InChIKey of 1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole?
The InChIKey is HQJKEKLDYGSJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-7-15-9-6-8(11(12,13)14)4-3-5-10(9)16(7)2/h4-6H,3H2,1-2H3.
What are the key properties of 1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole?
1,2-dimethyl-5-(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 1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole is sourced from PubChem (CID 146359473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).