(4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine

C18H28N2 — CID 162706019

IUPAC(4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine
SMILES[2H]C1N(C)C(C2CCCCC2)[C@H](C)N1c1ccccc1C
InChIInChI=1S/C18H28N2/c1-14-9-7-8-12-17(14)20-13-19(3)18(15(20)2)16-10-5-4-6-11-16/h7-9,12,15-16,18H,4-6,10-11,13H2,1-3H3/t15-,18?/m0/s1/i13D/t13?,15-,18?
InChIKeyOEMJWWNOTJOQFD-SGCDSQQDSA-N
MW273.44 g/mol
LogP4.04
Rot. Bonds2

About (4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine

(4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine (PubChem CID 162706019) has the molecular formula C18H28N2 and a molecular weight of 273.44 g/mol. Its IUPAC name is (4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine.

Molecular Properties

Compound Name(4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine
PubChem CID162706019
Molecular FormulaC18H28N2
Molecular Weight273.44 g/mol
Exact Mass273.23
IUPAC Name(4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine
SMILES[2H]C1N(C)C(C2CCCCC2)[C@H](C)N1c1ccccc1C
InChIInChI=1S/C18H28N2/c1-14-9-7-8-12-17(14)20-13-19(3)18(15(20)2)16-10-5-4-6-11-16/h7-9,12,15-16,18H,4-6,10-11,13H2,1-3H3/t15-,18?/m0/s1/i13D/t13?,15-,18?
InChIKeyOEMJWWNOTJOQFD-SGCDSQQDSA-N
XLogP4.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine
CID 162706297
(4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine
CID 162706210
(4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine
CID 162706573
(5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine
CID 162706558
(1S)-5,5-dicyclopentyl-3-deuterio-1-methyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706362
(2S)-1,2-dimethyl-3-(2-methylphenyl)imidazolidine
CID 121449628
(4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine
CID 162706315
(4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine
CID 162706377
(1S)-3-deuterio-1,7-dimethyl-2-(2-methylphenyl)-7-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706396
(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
CID 118155644
(3S)-1,4,4-tricyclopentyl-3-methyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
CID 162706557
(1S)-5-cyclohexyl-3,5-dicyclopentyl-1-methyl-2-(2-methylphenyl)-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706264

Frequently Asked Questions

What is the IUPAC name of (4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine?
The IUPAC name of (4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine (CID 162706019) is (4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine.
What is the SMILES notation for (4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine?
The canonical SMILES for (4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine is [2H]C1N(C)C(C2CCCCC2)[C@H](C)N1c1ccccc1C.
What is the InChIKey of (4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine?
The InChIKey is OEMJWWNOTJOQFD-SGCDSQQDSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-9-7-8-12-17(14)20-13-19(3)18(15(20)2)16-10-5-4-6-11-16/h7-9,12,15-16,18H,4-6,10-11,13H2,1-3H3/t15-,18?/m0/s1/i13D/t13?,15-,18?.
What are the key properties of (4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine?
(4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine has a molecular weight of 273.44 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine is sourced from PubChem (CID 162706019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).