(4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine

C17H26N2 — CID 162706377

IUPAC(4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine
SMILES[2H]N1C(C2CCCC2)[C@H](C)N(c2ccccc2C)C1C([2H])([2H])[2H]
InChIInChI=1S/C17H26N2/c1-12-8-4-7-11-16(12)19-13(2)17(18-14(19)3)15-9-5-6-10-15/h4,7-8,11,13-15,17-18H,5-6,9-10H2,1-3H3/t13-,14?,17?/m0/s1/i3D3/hD
InChIKeyYWXZZKYJZYUWFB-XBCKVZOMSA-N
MW262.43 g/mol
LogP3.70
Rot. Bonds3

About (4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine

(4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine (PubChem CID 162706377) has the molecular formula C17H26N2 and a molecular weight of 262.43 g/mol. Its IUPAC name is (4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine.

Molecular Properties

Compound Name(4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine
PubChem CID162706377
Molecular FormulaC17H26N2
Molecular Weight262.43 g/mol
Exact Mass262.23
IUPAC Name(4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine
SMILES[2H]N1C(C2CCCC2)[C@H](C)N(c2ccccc2C)C1C([2H])([2H])[2H]
InChIInChI=1S/C17H26N2/c1-12-8-4-7-11-16(12)19-13(2)17(18-14(19)3)15-9-5-6-10-15/h4,7-8,11,13-15,17-18H,5-6,9-10H2,1-3H3/t13-,14?,17?/m0/s1/i3D3/hD
InChIKeyYWXZZKYJZYUWFB-XBCKVZOMSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine
CID 162706315
(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
CID 118155644
(5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine
CID 162706558
(3S)-1,4,4-tricyclopentyl-3-methyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
CID 162706557
(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
(3S)-1,4-dicyclopentyl-3,4-dimethyl-2-(2-methylphenyl)-3,3a-dihydro-1H-imidazo[1,5-a]indole
CID 162706306
(1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706596
(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
(1S)-3-cyclohexyl-1,5,5-trimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162706481
(4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine
CID 162706573

Frequently Asked Questions

What is the IUPAC name of (4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine?
The IUPAC name of (4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine (CID 162706377) is (4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine.
What is the SMILES notation for (4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine?
The canonical SMILES for (4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine is [2H]N1C(C2CCCC2)[C@H](C)N(c2ccccc2C)C1C([2H])([2H])[2H].
What is the InChIKey of (4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine?
The InChIKey is YWXZZKYJZYUWFB-XBCKVZOMSA-N. The full InChI is InChI=1S/C17H26N2/c1-12-8-4-7-11-16(12)19-13(2)17(18-14(19)3)15-9-5-6-10-15/h4,7-8,11,13-15,17-18H,5-6,9-10H2,1-3H3/t13-,14?,17?/m0/s1/i3D3/hD.
What are the key properties of (4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine?
(4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine has a molecular weight of 262.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine is sourced from PubChem (CID 162706377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).