3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one

C24H28N4O4 — CID 67808898

IUPAC3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
SMILESCOc1ccc(OC)c(CNC2CCN(c3ccc(-n4cnc(C)c4)c(OC)c3)C2=O)c1
InChIInChI=1S/C24H28N4O4/c1-16-14-27(15-26-16)21-7-5-18(12-23(21)32-4)28-10-9-20(24(28)29)25-13-17-11-19(30-2)6-8-22(17)31-3/h5-8,11-12,14-15,20,25H,9-10,13H2,1-4H3
InChIKeyHNSPZWUVVJZFOY-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.10
Rot. Bonds8

About 3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one

3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one (PubChem CID 67808898) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
PubChem CID67808898
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
SMILESCOc1ccc(OC)c(CNC2CCN(c3ccc(-n4cnc(C)c4)c(OC)c3)C2=O)c1
InChIInChI=1S/C24H28N4O4/c1-16-14-27(15-26-16)21-7-5-18(12-23(21)32-4)28-10-9-20(24(28)29)25-13-17-11-19(30-2)6-8-22(17)31-3/h5-8,11-12,14-15,20,25H,9-10,13H2,1-4H3
InChIKeyHNSPZWUVVJZFOY-UHFFFAOYSA-N
XLogP3.10
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 67701484
N-[1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-oxopyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide
CID 70803503
3-[(4-chlorophenyl)methyl]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one;1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 160616712
3-methoxy-4-(4-methylimidazol-1-yl)aniline;1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 161433764
3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 55033823
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
7-[1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3H-isoindol-1-one
CID 67808210
dimethyl 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635430
(3E)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-(4-methoxyphenyl)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-4-one
CID 69072979
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
ethyl (2Z)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pentanoate
CID 66960963
(3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 96529412

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one (CID 67808898) is 3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one is COc1ccc(OC)c(CNC2CCN(c3ccc(-n4cnc(C)c4)c(OC)c3)C2=O)c1.
What is the InChIKey of 3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one?
The InChIKey is HNSPZWUVVJZFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-16-14-27(15-26-16)21-7-5-18(12-23(21)32-4)28-10-9-20(24(28)29)25-13-17-11-19(30-2)6-8-22(17)31-3/h5-8,11-12,14-15,20,25H,9-10,13H2,1-4H3.
What are the key properties of 3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one?
3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one has a molecular weight of 436.51 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethoxyphenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 67808898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).