1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one

C15H20N4O — CID 120970003

IUPAC1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
SMILESCN1CCN=C1NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C15H20N4O/c1-18-9-7-16-15(18)17-11-12-4-2-5-13(10-12)19-8-3-6-14(19)20/h2,4-5,10H,3,6-9,11H2,1H3,(H,16,17)
InChIKeyQPUGDQCJFHXUNC-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.20
Rot. Bonds3

About 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one

1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one (PubChem CID 120970003) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
PubChem CID120970003
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
SMILESCN1CCN=C1NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C15H20N4O/c1-18-9-7-16-15(18)17-11-12-4-2-5-13(10-12)19-8-3-6-14(19)20/h2,4-5,10H,3,6-9,11H2,1H3,(H,16,17)
InChIKeyQPUGDQCJFHXUNC-UHFFFAOYSA-N
XLogP1.20
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 133482001
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 58826741
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
1-[3-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 99632936
1-[3-[(3-bromophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680049
N-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]methanesulfonamide;hydroiodide
CID 120969422
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one (CID 120970003) is 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one is CN1CCN=C1NCc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is QPUGDQCJFHXUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-9-7-16-15(18)17-11-12-4-2-5-13(10-12)19-8-3-6-14(19)20/h2,4-5,10H,3,6-9,11H2,1H3,(H,16,17).
What are the key properties of 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one?
1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 120970003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).