(5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine

C23H30N2 — CID 162706558

IUPAC(5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine
SMILESCc1ccccc1N1C(C)N(c2ccccc2)C(C2CCCC2)[C@@H]1C
InChIInChI=1S/C23H30N2/c1-17-11-7-10-16-22(17)24-18(2)23(20-12-8-9-13-20)25(19(24)3)21-14-5-4-6-15-21/h4-7,10-11,14-16,18-20,23H,8-9,12-13H2,1-3H3/t18-,19?,23?/m0/s1
InChIKeyIHBFLABQOKGHEG-HGCBZUSOSA-N
MW334.51 g/mol
LogP5.61
Rot. Bonds3

About (5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine

(5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine (PubChem CID 162706558) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is (5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine.

Molecular Properties

Compound Name(5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine
PubChem CID162706558
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name(5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine
SMILESCc1ccccc1N1C(C)N(c2ccccc2)C(C2CCCC2)[C@@H]1C
InChIInChI=1S/C23H30N2/c1-17-11-7-10-16-22(17)24-18(2)23(20-12-8-9-13-20)25(19(24)3)21-14-5-4-6-15-21/h4-7,10-11,14-16,18-20,23H,8-9,12-13H2,1-3H3/t18-,19?,23?/m0/s1
InChIKeyIHBFLABQOKGHEG-HGCBZUSOSA-N
XLogP5.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine?
The IUPAC name of (5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine (CID 162706558) is (5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine.
What is the SMILES notation for (5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine?
The canonical SMILES for (5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine is Cc1ccccc1N1C(C)N(c2ccccc2)C(C2CCCC2)[C@@H]1C.
What is the InChIKey of (5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine?
The InChIKey is IHBFLABQOKGHEG-HGCBZUSOSA-N. The full InChI is InChI=1S/C23H30N2/c1-17-11-7-10-16-22(17)24-18(2)23(20-12-8-9-13-20)25(19(24)3)21-14-5-4-6-15-21/h4-7,10-11,14-16,18-20,23H,8-9,12-13H2,1-3H3/t18-,19?,23?/m0/s1.
What are the key properties of (5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine?
(5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine has a molecular weight of 334.51 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine is sourced from PubChem (CID 162706558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).