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

C15H17ClN4O — CID 124556757

IUPAC(3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCn1cncc1CN[C@H]1CCN(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/t13-/m0/s1
InChIKeyCGWSFJCJJQWQQH-ZDUSSCGKSA-N
MW304.78 g/mol
LogP1.97
Rot. Bonds4

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

(3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one (PubChem CID 124556757) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is (3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
PubChem CID124556757
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name(3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCn1cncc1CN[C@H]1CCN(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/t13-/m0/s1
InChIKeyCGWSFJCJJQWQQH-ZDUSSCGKSA-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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Related Compounds

1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
CID 119128736
3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one
CID 167896700
1-[(4-fluorophenyl)methyl]-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
CID 122145629
N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 95322197
1-(2-chlorophenyl)-3-[(6-methoxy-2-pyridinyl)methylamino]piperidin-2-one
CID 119139081
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide
CID 56786587
1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 56787564
N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 95620292
1-(3-chloro-2-methylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 54973419
1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-5-yl)methylamino]pyrrolidin-2-one
CID 154746706
1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 154748467
(3R)-1-(2-chlorophenyl)-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]pyrrolidin-2-one
CID 124556502

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of (3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one (CID 124556757) is (3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one is Cn1cncc1CN[C@H]1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of (3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one?
The InChIKey is CGWSFJCJJQWQQH-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of (3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one?
(3S)-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 (3S)-1-(2-chlorophenyl)-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 124556757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).