(5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione

C18H15ClN2O4 — CID 7180504

IUPAC(5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccccc2Cl)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C18H15ClN2O4/c1-18(12-4-2-3-5-13(12)19)16(22)21(17(23)20-18)9-11-6-7-14-15(8-11)25-10-24-14/h2-8H,9-10H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyXPEYLRUXJLUTQP-GOSISDBHSA-N
MW358.78 g/mol
LogP3.04
Rot. Bonds3

About (5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione

(5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 7180504) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is (5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID7180504
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name(5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccccc2Cl)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C18H15ClN2O4/c1-18(12-4-2-3-5-13(12)19)16(22)21(17(23)20-18)9-11-6-7-14-15(8-11)25-10-24-14/h2-8H,9-10H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyXPEYLRUXJLUTQP-GOSISDBHSA-N
XLogP3.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 6590877
(5S)-5-(1,3-benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 7359238
(5S)-5-(2-chlorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7180510
(5R)-5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2479691
5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3894846
5-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17400223
5-(1,3-benzodioxol-5-yl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17450276
5-(2-chlorophenyl)-3-[(2-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3689298
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7359271
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 25437321
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180260
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]imidazolidine-2,4-dione
CID 16610811

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione (CID 7180504) is (5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccccc2Cl)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of (5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is XPEYLRUXJLUTQP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-18(12-4-2-3-5-13(12)19)16(22)21(17(23)20-18)9-11-6-7-14-15(8-11)25-10-24-14/h2-8H,9-10H2,1H3,(H,20,23)/t18-/m1/s1.
What are the key properties of (5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione?
(5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 358.78 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7180504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).