(4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine

C21H32N2 — CID 162706297

IUPAC(4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine
SMILES[2H]C1N(C2CCCC2)C(C2CCCC2)[C@H](C)N1c1ccccc1C
InChIInChI=1S/C21H32N2/c1-16-9-3-8-14-20(16)22-15-23(19-12-6-7-13-19)21(17(22)2)18-10-4-5-11-18/h3,8-9,14,17-19,21H,4-7,10-13,15H2,1-2H3/t17-,21?/m0/s1/i15D/t15?,17-,21?
InChIKeyHQVONZDEZXZRGO-MWAQUOBISA-N
MW313.51 g/mol
LogP4.96
Rot. Bonds3

About (4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine

(4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine (PubChem CID 162706297) has the molecular formula C21H32N2 and a molecular weight of 313.51 g/mol. Its IUPAC name is (4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine.

Molecular Properties

Compound Name(4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine
PubChem CID162706297
Molecular FormulaC21H32N2
Molecular Weight313.51 g/mol
Exact Mass313.26
IUPAC Name(4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine
SMILES[2H]C1N(C2CCCC2)C(C2CCCC2)[C@H](C)N1c1ccccc1C
InChIInChI=1S/C21H32N2/c1-16-9-3-8-14-20(16)22-15-23(19-12-6-7-13-19)21(17(22)2)18-10-4-5-11-18/h3,8-9,14,17-19,21H,4-7,10-13,15H2,1-2H3/t17-,21?/m0/s1/i15D/t15?,17-,21?
InChIKeyHQVONZDEZXZRGO-MWAQUOBISA-N
XLogP4.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine
CID 162706573
(4S)-5-cyclohexyl-2-deuterio-1,4-dimethyl-3-(2-methylphenyl)imidazolidine
CID 162706019
(4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine
CID 162706210
(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
(4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine
CID 162706377
(4S)-5-cyclohexyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-phenylimidazolidine
CID 162706315
(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
(1S)-5-cyclopentyl-5-deuterio-1-methyl-2-(2-methylphenyl)-3-phenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706596
(2S)-1,2-dimethyl-3-(2-methylphenyl)imidazolidine
CID 121449628
(8R,8aS)-8-hydroxy-2-(2-methylphenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 100639472

Frequently Asked Questions

What is the IUPAC name of (4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine?
The IUPAC name of (4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine (CID 162706297) is (4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine.
What is the SMILES notation for (4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine?
The canonical SMILES for (4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine is [2H]C1N(C2CCCC2)C(C2CCCC2)[C@H](C)N1c1ccccc1C.
What is the InChIKey of (4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine?
The InChIKey is HQVONZDEZXZRGO-MWAQUOBISA-N. The full InChI is InChI=1S/C21H32N2/c1-16-9-3-8-14-20(16)22-15-23(19-12-6-7-13-19)21(17(22)2)18-10-4-5-11-18/h3,8-9,14,17-19,21H,4-7,10-13,15H2,1-2H3/t17-,21?/m0/s1/i15D/t15?,17-,21?.
What are the key properties of (4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine?
(4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine has a molecular weight of 313.51 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,5-dicyclopentyl-2-deuterio-4-methyl-3-(2-methylphenyl)imidazolidine is sourced from PubChem (CID 162706297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).