4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one

C15H18N4O — CID 168660067

IUPAC4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
SMILESCc1nccn1-c1ccc(N2CC(CN)CC2=O)cc1
InChIInChI=1S/C15H18N4O/c1-11-17-6-7-18(11)13-2-4-14(5-3-13)19-10-12(9-16)8-15(19)20/h2-7,12H,8-10,16H2,1H3
InChIKeyJRSWRNGEBKGTFM-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.49
Rot. Bonds3

About 4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one

4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one (PubChem CID 168660067) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
PubChem CID168660067
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
SMILESCc1nccn1-c1ccc(N2CC(CN)CC2=O)cc1
InChIInChI=1S/C15H18N4O/c1-11-17-6-7-18(11)13-2-4-14(5-3-13)19-10-12(9-16)8-15(19)20/h2-7,12H,8-10,16H2,1H3
InChIKeyJRSWRNGEBKGTFM-UHFFFAOYSA-N
XLogP1.49
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681755
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066
4-(aminomethyl)-1-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168661197
4-(aminomethyl)-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 83543998
4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one
CID 112514915
4-(aminomethyl)-1-[4-(azepan-1-yl)phenyl]pyrrolidin-2-one
CID 168660723
4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
CID 168660724
4-(aminomethyl)-1-(1-methylindol-5-yl)pyrrolidin-2-one
CID 168660089
4-(aminomethyl)-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168661198
4-(aminomethyl)-1-(3,5-difluoro-4-methylphenyl)pyrrolidin-2-one
CID 168659727
4-(aminomethyl)-1-(3-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168661209
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylbenzoic acid
CID 168659844

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one (CID 168660067) is 4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one is Cc1nccn1-c1ccc(N2CC(CN)CC2=O)cc1.
What is the InChIKey of 4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one?
The InChIKey is JRSWRNGEBKGTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-17-6-7-18(11)13-2-4-14(5-3-13)19-10-12(9-16)8-15(19)20/h2-7,12H,8-10,16H2,1H3.
What are the key properties of 4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one has a molecular weight of 270.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168660067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).