1-(3-chlorophenyl)-3-[(3,5-dimethylimidazol-4-yl)methyl]imidazolidin-2-one

C15H17ClN4O — CID 19933178

IUPAC1-(3-chlorophenyl)-3-[(3,5-dimethylimidazol-4-yl)methyl]imidazolidin-2-one
SMILESCc1ncn(C)c1CN1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C15H17ClN4O/c1-11-14(18(2)10-17-11)9-19-6-7-20(15(19)21)13-5-3-4-12(16)8-13/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyOKJTWHQUPARMPB-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.82
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(3,5-dimethylimidazol-4-yl)methyl]imidazolidin-2-one

1-(3-chlorophenyl)-3-[(3,5-dimethylimidazol-4-yl)methyl]imidazolidin-2-one (PubChem CID 19933178) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(3,5-dimethylimidazol-4-yl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(3,5-dimethylimidazol-4-yl)methyl]imidazolidin-2-one
PubChem CID19933178
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name1-(3-chlorophenyl)-3-[(3,5-dimethylimidazol-4-yl)methyl]imidazolidin-2-one
SMILESCc1ncn(C)c1CN1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C15H17ClN4O/c1-11-14(18(2)10-17-11)9-19-6-7-20(15(19)21)13-5-3-4-12(16)8-13/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyOKJTWHQUPARMPB-UHFFFAOYSA-N
XLogP2.82
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(3,5-dimethylimidazol-4-yl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[(3,5-dimethylimidazol-4-yl)methyl]imidazolidin-2-one (CID 19933178) is 1-(3-chlorophenyl)-3-[(3,5-dimethylimidazol-4-yl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(3,5-dimethylimidazol-4-yl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(3,5-dimethylimidazol-4-yl)methyl]imidazolidin-2-one is Cc1ncn(C)c1CN1CCN(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(3,5-dimethylimidazol-4-yl)methyl]imidazolidin-2-one?
The InChIKey is OKJTWHQUPARMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-11-14(18(2)10-17-11)9-19-6-7-20(15(19)21)13-5-3-4-12(16)8-13/h3-5,8,10H,6-7,9H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-[(3,5-dimethylimidazol-4-yl)methyl]imidazolidin-2-one?
1-(3-chlorophenyl)-3-[(3,5-dimethylimidazol-4-yl)methyl]imidazolidin-2-one has a molecular weight of 304.78 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(3,5-dimethylimidazol-4-yl)methyl]imidazolidin-2-one is sourced from PubChem (CID 19933178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).