5-benzyl-1-cyclohexyl-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione

C23H24Cl2N2O2 — CID 18682647

IUPAC5-benzyl-1-cyclohexyl-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(Cc2ccccc2)C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N1C1CCCCC1
InChIInChI=1S/C23H24Cl2N2O2/c1-23(15-16-8-4-2-5-9-16)21(28)26(20-13-17(24)12-18(25)14-20)22(29)27(23)19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15H2,1H3
InChIKeyLBBMKKSAGGQELW-UHFFFAOYSA-N
MW431.36 g/mol
LogP6.10
Rot. Bonds4

About 5-benzyl-1-cyclohexyl-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione

5-benzyl-1-cyclohexyl-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 18682647) has the molecular formula C23H24Cl2N2O2 and a molecular weight of 431.36 g/mol. Its IUPAC name is 5-benzyl-1-cyclohexyl-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-1-cyclohexyl-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID18682647
Molecular FormulaC23H24Cl2N2O2
Molecular Weight431.36 g/mol
Exact Mass430.12
IUPAC Name5-benzyl-1-cyclohexyl-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(Cc2ccccc2)C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N1C1CCCCC1
InChIInChI=1S/C23H24Cl2N2O2/c1-23(15-16-8-4-2-5-9-16)21(28)26(20-13-17(24)12-18(25)14-20)22(29)27(23)19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15H2,1H3
InChIKeyLBBMKKSAGGQELW-UHFFFAOYSA-N
XLogP6.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.36
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione
CID 59075315
(5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidine-2,4-dione
CID 59879524
(5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione
CID 59075288
2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione
CID 59075228
4-[5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butanoic acid
CID 18682541
1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 18682394
(5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione
CID 59075265
(5R)-1-(4-aminobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 59879535
5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione
CID 16660429
(1S,2R,7S,8R)-2-[(4-chlorophenyl)methyl]-10-cyclohexyl-7-(4-fluorophenyl)-4-(3-methylphenyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone
CID 24790387
methyl 1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-2-carboxylate
CID 59923549
(4S,9aS)-4-benzyl-4-methyl-1,2,7,8,9,9a-hexahydropyrrolo[1,2-d][1,4]thiazepin-5-one
CID 11448762

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-cyclohexyl-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-1-cyclohexyl-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione (CID 18682647) is 5-benzyl-1-cyclohexyl-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-1-cyclohexyl-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-1-cyclohexyl-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione is CC1(Cc2ccccc2)C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N1C1CCCCC1.
What is the InChIKey of 5-benzyl-1-cyclohexyl-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is LBBMKKSAGGQELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O2/c1-23(15-16-8-4-2-5-9-16)21(28)26(20-13-17(24)12-18(25)14-20)22(29)27(23)19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15H2,1H3.
What are the key properties of 5-benzyl-1-cyclohexyl-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
5-benzyl-1-cyclohexyl-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 431.36 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-cyclohexyl-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18682647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).