1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one

C23H27N3O2 — CID 97127410

IUPAC1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCc1cccc([C@H]2CCCN(C(=O)c3ccc(C)c(N4CCNC4=O)c3)C2)c1
InChIInChI=1S/C23H27N3O2/c1-16-5-3-6-18(13-16)20-7-4-11-25(15-20)22(27)19-9-8-17(2)21(14-19)26-12-10-24-23(26)28/h3,5-6,8-9,13-14,20H,4,7,10-12,15H2,1-2H3,(H,24,28)/t20-/m0/s1
InChIKeyVDJYSTYRWINCIN-FQEVSTJZSA-N
MW377.49 g/mol
LogP3.85
Rot. Bonds3

About 1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one

1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 97127410) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID97127410
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCc1cccc([C@H]2CCCN(C(=O)c3ccc(C)c(N4CCNC4=O)c3)C2)c1
InChIInChI=1S/C23H27N3O2/c1-16-5-3-6-18(13-16)20-7-4-11-25(15-20)22(27)19-9-8-17(2)21(14-19)26-12-10-24-23(26)28/h3,5-6,8-9,13-14,20H,4,7,10-12,15H2,1-2H3,(H,24,28)/t20-/m0/s1
InChIKeyVDJYSTYRWINCIN-FQEVSTJZSA-N
XLogP3.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
CID 70761074
1-[5-[(3R)-3-methoxypiperidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 97141117
1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
CID 156606116
(2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 97206305
1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 70761450
3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one
CID 96581445
[3-(4-fluorophenyl)azepan-1-yl]-(3-methylphenyl)methanone
CID 90608748
1-[2-methyl-5-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 97156710
(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70777670
1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 70756934
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one
CID 125439162

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one (CID 97127410) is 1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one is Cc1cccc([C@H]2CCCN(C(=O)c3ccc(C)c(N4CCNC4=O)c3)C2)c1.
What is the InChIKey of 1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is VDJYSTYRWINCIN-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-5-3-6-18(13-16)20-7-4-11-25(15-20)22(27)19-9-8-17(2)21(14-19)26-12-10-24-23(26)28/h3,5-6,8-9,13-14,20H,4,7,10-12,15H2,1-2H3,(H,24,28)/t20-/m0/s1.
What are the key properties of 1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 377.49 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 97127410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).