1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea

C20H27N5O2 — CID 125155347

IUPAC1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea
SMILESCCCN(Cc1nccn1C)C(=O)Nc1ccc(N2C(=O)CC[C@H]2C)cc1
InChIInChI=1S/C20H27N5O2/c1-4-12-24(14-18-21-11-13-23(18)3)20(27)22-16-6-8-17(9-7-16)25-15(2)5-10-19(25)26/h6-9,11,13,15H,4-5,10,12,14H2,1-3H3,(H,22,27)/t15-/m1/s1
InChIKeyAMAZSBYOSPZVQQ-OAHLLOKOSA-N
MW369.47 g/mol
LogP3.38
Rot. Bonds6

About 1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea

1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea (PubChem CID 125155347) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea
PubChem CID125155347
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea
SMILESCCCN(Cc1nccn1C)C(=O)Nc1ccc(N2C(=O)CC[C@H]2C)cc1
InChIInChI=1S/C20H27N5O2/c1-4-12-24(14-18-21-11-13-23(18)3)20(27)22-16-6-8-17(9-7-16)25-15(2)5-10-19(25)26/h6-9,11,13,15H,4-5,10,12,14H2,1-3H3,(H,22,27)/t15-/m1/s1
InChIKeyAMAZSBYOSPZVQQ-OAHLLOKOSA-N
XLogP3.38
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea 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-ethylimidazol-1-yl)-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]propanamide
CID 164642145
1-[(1-methylimidazol-2-yl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-1-propylurea
CID 118788930
3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 72916605
1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea
CID 72929270
1-[(1-methylimidazol-2-yl)methyl]-1-propyl-3-[2-(2-pyridin-2-ylethyl)phenyl]urea
CID 72878655
3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 72849632
1-[(1-methylimidazol-2-yl)methyl]-3-(2-methyl-5-methylsulfonylphenyl)-1-propylurea
CID 72862791
1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea
CID 118766238
6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide
CID 170503707
2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide
CID 164641938
(1S,3R,4R)-3-amino-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]-N-propylcyclohexane-1-carboxamide;dihydrochloride
CID 155941008
3-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1-ethyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 126434909

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea (CID 125155347) is 1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea is CCCN(Cc1nccn1C)C(=O)Nc1ccc(N2C(=O)CC[C@H]2C)cc1.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea?
The InChIKey is AMAZSBYOSPZVQQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-4-12-24(14-18-21-11-13-23(18)3)20(27)22-16-6-8-17(9-7-16)25-15(2)5-10-19(25)26/h6-9,11,13,15H,4-5,10,12,14H2,1-3H3,(H,22,27)/t15-/m1/s1.
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea?
1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea has a molecular weight of 369.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea is sourced from PubChem (CID 125155347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).