2-[3-(3-bromo-4-methylphenyl)-1-methyl-2-oxoimidazolidin-4-yl]acetic acid

C13H15BrN2O3 — CID 84607617

IUPAC2-[3-(3-bromo-4-methylphenyl)-1-methyl-2-oxoimidazolidin-4-yl]acetic acid
SMILESCc1ccc(N2C(=O)N(C)CC2CC(=O)O)cc1Br
InChIInChI=1S/C13H15BrN2O3/c1-8-3-4-9(5-11(8)14)16-10(6-12(17)18)7-15(2)13(16)19/h3-5,10H,6-7H2,1-2H3,(H,17,18)
InChIKeyPSUTYAAQZWWPDR-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.47
Rot. Bonds3

About 2-[3-(3-bromo-4-methylphenyl)-1-methyl-2-oxoimidazolidin-4-yl]acetic acid

2-[3-(3-bromo-4-methylphenyl)-1-methyl-2-oxoimidazolidin-4-yl]acetic acid (PubChem CID 84607617) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-[3-(3-bromo-4-methylphenyl)-1-methyl-2-oxoimidazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-bromo-4-methylphenyl)-1-methyl-2-oxoimidazolidin-4-yl]acetic acid
PubChem CID84607617
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name2-[3-(3-bromo-4-methylphenyl)-1-methyl-2-oxoimidazolidin-4-yl]acetic acid
SMILESCc1ccc(N2C(=O)N(C)CC2CC(=O)O)cc1Br
InChIInChI=1S/C13H15BrN2O3/c1-8-3-4-9(5-11(8)14)16-10(6-12(17)18)7-15(2)13(16)19/h3-5,10H,6-7H2,1-2H3,(H,17,18)
InChIKeyPSUTYAAQZWWPDR-UHFFFAOYSA-N
XLogP2.47
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(4-bromophenyl)-1-methyl-2-oxoimidazolidin-4-yl]propanoic acid
CID 84607625
1-(3-bromo-4-methylphenyl)-4-methyl-5-oxopiperazine-2-carboxylic acid
CID 84607582
2-[1-(4-bromo-3-methylphenyl)-4-methylpiperazin-2-yl]acetic acid
CID 84607962
1-(3-bromo-4-methylphenyl)-2-oxoazetidine-3-carboxylic acid
CID 82489526
1-(3-bromo-4-methylphenyl)-3-(hydroxymethyl)-4,6-dimethylpiperazin-2-one
CID 84607852
1-(3-bromo-4-methylphenyl)-3-methylimidazolidin-2-one
CID 117026496
4-(3-bromo-4-methylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009573
4-(3-bromo-4-methylphenyl)-5-oxothiomorpholine-3-carboxylic acid
CID 84608760
2-[1-(3-bromo-4-methylbenzoyl)piperidin-2-yl]acetic acid
CID 81470540
2-[1-(4-bromo-3-methylphenyl)-1,4-diazepan-2-yl]acetic acid
CID 84608016
2-[1-(4-bromophenyl)-4,6-dimethylpiperazin-2-yl]acetic acid
CID 84607969
methyl 1-(3-bromo-4-methylphenyl)azetidine-2-carboxylate
CID 112581474

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromo-4-methylphenyl)-1-methyl-2-oxoimidazolidin-4-yl]acetic acid?
The IUPAC name of 2-[3-(3-bromo-4-methylphenyl)-1-methyl-2-oxoimidazolidin-4-yl]acetic acid (CID 84607617) is 2-[3-(3-bromo-4-methylphenyl)-1-methyl-2-oxoimidazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(3-bromo-4-methylphenyl)-1-methyl-2-oxoimidazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[3-(3-bromo-4-methylphenyl)-1-methyl-2-oxoimidazolidin-4-yl]acetic acid is Cc1ccc(N2C(=O)N(C)CC2CC(=O)O)cc1Br.
What is the InChIKey of 2-[3-(3-bromo-4-methylphenyl)-1-methyl-2-oxoimidazolidin-4-yl]acetic acid?
The InChIKey is PSUTYAAQZWWPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-8-3-4-9(5-11(8)14)16-10(6-12(17)18)7-15(2)13(16)19/h3-5,10H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-(3-bromo-4-methylphenyl)-1-methyl-2-oxoimidazolidin-4-yl]acetic acid?
2-[3-(3-bromo-4-methylphenyl)-1-methyl-2-oxoimidazolidin-4-yl]acetic acid has a molecular weight of 327.18 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromo-4-methylphenyl)-1-methyl-2-oxoimidazolidin-4-yl]acetic acid is sourced from PubChem (CID 84607617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).