1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one

C20H21N5O — CID 146041584

IUPAC1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCc1cccc(-c2ncc(-c3nccn3CC3CC(=O)N(C)C3)cn2)c1
InChIInChI=1S/C20H21N5O/c1-14-4-3-5-16(8-14)19-22-10-17(11-23-19)20-21-6-7-25(20)13-15-9-18(26)24(2)12-15/h3-8,10-11,15H,9,12-13H2,1-2H3
InChIKeyKZMUIPCKPIMFER-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.79
Rot. Bonds4

About 1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one

1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 146041584) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID146041584
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCc1cccc(-c2ncc(-c3nccn3CC3CC(=O)N(C)C3)cn2)c1
InChIInChI=1S/C20H21N5O/c1-14-4-3-5-16(8-14)19-22-10-17(11-23-19)20-21-6-7-25(20)13-15-9-18(26)24(2)12-15/h3-8,10-11,15H,9,12-13H2,1-2H3
InChIKeyKZMUIPCKPIMFER-UHFFFAOYSA-N
XLogP2.79
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]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

4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 146038672
(4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 95553395
4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 146042997
1-cyclopropyl-4-[[2-(1,2-thiazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 154569202
5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166613907
methyl 3-[1-[(5-oxopyrrolidin-2-yl)methyl]imidazol-2-yl]benzoate
CID 169412849
1-(3-methoxyphenyl)-4-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90493015
N-benzyl-5-[1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]imidazol-2-yl]pyrimidin-2-amine
CID 95555822
N-benzyl-5-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-2-yl]pyrimidin-2-amine
CID 95555823
[4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol
CID 154816686
1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
CID 165421175
1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 155491539

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one (CID 146041584) is 1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one is Cc1cccc(-c2ncc(-c3nccn3CC3CC(=O)N(C)C3)cn2)c1.
What is the InChIKey of 1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is KZMUIPCKPIMFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-4-3-5-16(8-14)19-22-10-17(11-23-19)20-21-6-7-25(20)13-15-9-18(26)24(2)12-15/h3-8,10-11,15H,9,12-13H2,1-2H3.
What are the key properties of 1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one?
1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 347.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 146041584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).