(4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine

C23H30N2 — CID 162706315

IUPAC(4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine
SMILES[2H]N1C(C2CCCCC2)[C@H](C)N(c2ccccc2C)C1c1ccccc1
InChIInChI=1S/C23H30N2/c1-17-11-9-10-16-21(17)25-18(2)22(19-12-5-3-6-13-19)24-23(25)20-14-7-4-8-15-20/h4,7-11,14-16,18-19,22-24H,3,5-6,12-13H2,1-2H3/t18-,22?,23?/m0/s1/i/hD
InChIKeyAHZYMDXIAUDANK-FTGLAVGISA-N
MW335.51 g/mol
LogP5.44
Rot. Bonds3

About (4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine

(4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine (PubChem CID 162706315) has the molecular formula C23H30N2 and a molecular weight of 335.51 g/mol. Its IUPAC name is (4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine.

Molecular Properties

Compound Name(4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine
PubChem CID162706315
Molecular FormulaC23H30N2
Molecular Weight335.51 g/mol
Exact Mass335.25
IUPAC Name(4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine
SMILES[2H]N1C(C2CCCCC2)[C@H](C)N(c2ccccc2C)C1c1ccccc1
InChIInChI=1S/C23H30N2/c1-17-11-9-10-16-21(17)25-18(2)22(19-12-5-3-6-13-19)24-23(25)20-14-7-4-8-15-20/h4,7-11,14-16,18-19,22-24H,3,5-6,12-13H2,1-2H3/t18-,22?,23?/m0/s1/i/hD
InChIKeyAHZYMDXIAUDANK-FTGLAVGISA-N
XLogP5.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.51
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine
CID 162706377
(1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706596
(5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine
CID 162706558
(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
CID 118155644
(4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine
CID 162706019
(1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706264
(1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706481
(1S)-3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)-5-phenyl-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706534
(5S)-5-methyl-1-(2-methylphenyl)-3,4-diphenyl-2-(trideuteriomethyl)imidazolidine
CID 162706060
(1S)-7,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706310
(4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine
CID 162706297
(2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine
CID 27311881

Frequently Asked Questions

What is the IUPAC name of (4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine?
The IUPAC name of (4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine (CID 162706315) is (4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine.
What is the SMILES notation for (4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine?
The canonical SMILES for (4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine is [2H]N1C(C2CCCCC2)[C@H](C)N(c2ccccc2C)C1c1ccccc1.
What is the InChIKey of (4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine?
The InChIKey is AHZYMDXIAUDANK-FTGLAVGISA-N. The full InChI is InChI=1S/C23H30N2/c1-17-11-9-10-16-21(17)25-18(2)22(19-12-5-3-6-13-19)24-23(25)20-14-7-4-8-15-20/h4,7-11,14-16,18-19,22-24H,3,5-6,12-13H2,1-2H3/t18-,22?,23?/m0/s1/i/hD.
What are the key properties of (4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine?
(4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine has a molecular weight of 335.51 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine is sourced from PubChem (CID 162706315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).