3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one

C10H10ClN3O — CID 12880006

IUPAC3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one
SMILES[H]/N=C1\CN(C)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C10H10ClN3O/c1-13-6-9(12)14(10(13)15)8-5-3-2-4-7(8)11/h2-5,12H,6H2,1H3/b12-9+
InChIKeyMUSQUMZYSXGBMT-FMIVXFBMSA-N
MW223.66 g/mol
LogP2.19
Rot. Bonds1

About 3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one

3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one (PubChem CID 12880006) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one
PubChem CID12880006
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one
SMILES[H]/N=C1\CN(C)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C10H10ClN3O/c1-13-6-9(12)14(10(13)15)8-5-3-2-4-7(8)11/h2-5,12H,6H2,1H3/b12-9+
InChIKeyMUSQUMZYSXGBMT-FMIVXFBMSA-N
XLogP2.19
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 56693031
(5Z)-3-(2-chlorophenyl)-5-(dimethylaminomethylidene)-1-methylimidazolidine-2,4-dione
CID 70551521
2-[3-(2-fluorophenyl)-4-imino-2-oxoimidazolidin-1-yl]acetonitrile
CID 110185703
3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 4135812
1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 121238704
1-(2-chlorophenyl)-3,4-dihydroquinoxalin-2-one
CID 117006502
1-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
CID 21235101
(3aR,5R,6S,7aR)-5,6-dibromo-2-(2-chlorophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7115541
(15R,19R)-17-(2-chlorophenyl)-1,8-dimethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 40573589
(1S,2R,6R,7S)-4-(2-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 124720573
5-(4-chlorophenyl)-1-ethanimidoyl-2-imino-1,5-benzodiazepin-4-one
CID 130253992
2-(2-chlorophenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 43402856

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one (CID 12880006) is 3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one is [H]/N=C1\CN(C)C(=O)N1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one?
The InChIKey is MUSQUMZYSXGBMT-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-13-6-9(12)14(10(13)15)8-5-3-2-4-7(8)11/h2-5,12H,6H2,1H3/b12-9+.
What are the key properties of 3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one?
3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one has a molecular weight of 223.66 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-imino-1-methylimidazolidin-2-one is sourced from PubChem (CID 12880006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).