1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one

C15H17ClN4O — CID 119128736

IUPAC1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCn1cncc1CNC1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C15H17ClN4O/c1-19-10-17-8-11(19)9-18-13-6-7-20(15(13)21)14-5-3-2-4-12(14)16/h2-5,8,10,13,18H,6-7,9H2,1H3
InChIKeyCGWSFJCJJQWQQH-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.97
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one

1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one (PubChem CID 119128736) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
PubChem CID119128736
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCn1cncc1CNC1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C15H17ClN4O/c1-19-10-17-8-11(19)9-18-13-6-7-20(15(13)21)14-5-3-2-4-12(14)16/h2-5,8,10,13,18H,6-7,9H2,1H3
InChIKeyCGWSFJCJJQWQQH-UHFFFAOYSA-N
XLogP1.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one (CID 119128736) is 1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one is Cn1cncc1CNC1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one?
The InChIKey is CGWSFJCJJQWQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-19-10-17-8-11(19)9-18-13-6-7-20(15(13)21)14-5-3-2-4-12(14)16/h2-5,8,10,13,18H,6-7,9H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one?
1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one has a molecular weight of 304.78 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 119128736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).