6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine

C25H30F3N3O2 — CID 118318568

IUPAC6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine
SMILESCOc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n(C3CC(C)(C)CC(C)(C)C3)c2c1
InChIInChI=1S/C25H30F3N3O2/c1-23(2)13-17(14-24(3,4)15-23)31-21-12-19(32-5)10-11-20(21)30-22(31)29-16-6-8-18(9-7-16)33-25(26,27)28/h6-12,17H,13-15H2,1-5H3,(H,29,30)
InChIKeyMWYMNBZHNUZSHV-UHFFFAOYSA-N
MW461.53 g/mol
LogP7.46
Rot. Bonds5

About 6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine

6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine (PubChem CID 118318568) has the molecular formula C25H30F3N3O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is 6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine
PubChem CID118318568
Molecular FormulaC25H30F3N3O2
Molecular Weight461.53 g/mol
Exact Mass461.23
IUPAC Name6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine
SMILESCOc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n(C3CC(C)(C)CC(C)(C)C3)c2c1
InChIInChI=1S/C25H30F3N3O2/c1-23(2)13-17(14-24(3,4)15-23)31-21-12-19(32-5)10-11-20(21)30-22(31)29-16-6-8-18(9-7-16)33-25(26,27)28/h6-12,17H,13-15H2,1-5H3,(H,29,30)
InChIKeyMWYMNBZHNUZSHV-UHFFFAOYSA-N
XLogP7.46
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-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 6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine?
The IUPAC name of 6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine (CID 118318568) is 6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine.
What is the SMILES notation for 6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine?
The canonical SMILES for 6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine is COc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n(C3CC(C)(C)CC(C)(C)C3)c2c1.
What is the InChIKey of 6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine?
The InChIKey is MWYMNBZHNUZSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O2/c1-23(2)13-17(14-24(3,4)15-23)31-21-12-19(32-5)10-11-20(21)30-22(31)29-16-6-8-18(9-7-16)33-25(26,27)28/h6-12,17H,13-15H2,1-5H3,(H,29,30).
What are the key properties of 6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine?
6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine has a molecular weight of 461.53 g/mol, XLogP of 7.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(3,3,5,5-tetramethylcyclohexyl)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine is sourced from PubChem (CID 118318568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).