4-[3-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;methane

C30H33F3N4 — CID 159682714

IUPAC4-[3-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;methane
SMILESC.Cc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(NC(C)c3ccccc3)c2)n1C1CCCC1
InChIInChI=1S/C29H29F3N4.CH4/c1-19(21-9-4-3-5-10-21)34-26-18-23(15-16-33-26)28-27(22-11-8-12-24(17-22)29(30,31)32)35-20(2)36(28)25-13-6-7-14-25;/h3-5,8-12,15-19,25H,6-7,13-14H2,1-2H3,(H,33,34);1H4
InChIKeyMVKCUAKMUNYJJC-UHFFFAOYSA-N
MW506.62 g/mol
LogP8.86
Rot. Bonds6

About 4-[3-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;methane

4-[3-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;methane (PubChem CID 159682714) has the molecular formula C30H33F3N4 and a molecular weight of 506.62 g/mol. Its IUPAC name is 4-[3-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;methane.

Molecular Properties

Compound Name4-[3-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;methane
PubChem CID159682714
Molecular FormulaC30H33F3N4
Molecular Weight506.62 g/mol
Exact Mass506.27
IUPAC Name4-[3-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;methane
SMILESC.Cc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(NC(C)c3ccccc3)c2)n1C1CCCC1
InChIInChI=1S/C29H29F3N4.CH4/c1-19(21-9-4-3-5-10-21)34-26-18-23(15-16-33-26)28-27(22-11-8-12-24(17-22)29(30,31)32)35-20(2)36(28)25-13-6-7-14-25;/h3-5,8-12,15-19,25H,6-7,13-14H2,1-2H3,(H,33,34);1H4
InChIKeyMVKCUAKMUNYJJC-UHFFFAOYSA-N
XLogP8.86
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.62
LogP ≤ 58.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;methane 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 4-[3-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;methane?
The IUPAC name of 4-[3-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;methane (CID 159682714) is 4-[3-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;methane.
What is the SMILES notation for 4-[3-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;methane?
The canonical SMILES for 4-[3-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;methane is C.Cc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(NC(C)c3ccccc3)c2)n1C1CCCC1.
What is the InChIKey of 4-[3-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;methane?
The InChIKey is MVKCUAKMUNYJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N4.CH4/c1-19(21-9-4-3-5-10-21)34-26-18-23(15-16-33-26)28-27(22-11-8-12-24(17-22)29(30,31)32)35-20(2)36(28)25-13-6-7-14-25;/h3-5,8-12,15-19,25H,6-7,13-14H2,1-2H3,(H,33,34);1H4.
What are the key properties of 4-[3-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;methane?
4-[3-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;methane has a molecular weight of 506.62 g/mol, XLogP of 8.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyclopentyl-2-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine;methane is sourced from PubChem (CID 159682714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).