3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-one

C18H17BrN2O2 — CID 154835043

IUPAC3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-one
SMILESCc1c(Br)cccc1C(=O)N1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H17BrN2O2/c1-13-15(8-5-9-16(13)19)18(23)21-11-17(22)20(12-21)10-14-6-3-2-4-7-14/h2-9H,10-12H2,1H3
InChIKeyGJGWDNFXLMEQTR-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.20
Rot. Bonds3

About 3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-one

3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-one (PubChem CID 154835043) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-one
PubChem CID154835043
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-one
SMILESCc1c(Br)cccc1C(=O)N1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H17BrN2O2/c1-13-15(8-5-9-16(13)19)18(23)21-11-17(22)20(12-21)10-14-6-3-2-4-7-14/h2-9H,10-12H2,1H3
InChIKeyGJGWDNFXLMEQTR-UHFFFAOYSA-N
XLogP3.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-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-bromo-2-methylbenzoic acid;(3-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone;cyclopentane
CID 160501593
3-benzyl-1-(5-bromo-1-benzofuran-2-carbonyl)imidazolidin-4-one
CID 167869886
4-benzyl-3-oxopiperazine-1-carboxylic acid
CID 68915236
1-(3-bromo-2-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250906
(3-bromo-2-methylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371650
1-benzyl-4-buta-1,3-dien-2-ylpiperazin-2-one
CID 91113767
(3-bromo-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727013
(3-bromo-2-methylphenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 115683414
(3S)-1-(3-bromo-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 81125596
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-bromo-2-methylphenyl)methanone;hydrochloride
CID 120655547
2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66434767
(3-bromo-2-methylphenyl)-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 97054377

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-one?
The IUPAC name of 3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-one (CID 154835043) is 3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-one.
What is the SMILES notation for 3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-one?
The canonical SMILES for 3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-one is Cc1c(Br)cccc1C(=O)N1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-one?
The InChIKey is GJGWDNFXLMEQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-13-15(8-5-9-16(13)19)18(23)21-11-17(22)20(12-21)10-14-6-3-2-4-7-14/h2-9H,10-12H2,1H3.
What are the key properties of 3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-one?
3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-one has a molecular weight of 373.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(3-bromo-2-methylbenzoyl)imidazolidin-4-one is sourced from PubChem (CID 154835043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).