2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one

C12H13BrN2O — CID 106953186

IUPAC2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(c2cccc(Br)c2)NC1=O
InChIInChI=1S/C12H13BrN2O/c1-7(2)10-12(16)15-11(14-10)8-4-3-5-9(13)6-8/h3-7,10H,1-2H3,(H,14,15,16)
InChIKeyACMQUSRWOLJCOC-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.35
Rot. Bonds2

About 2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one

2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one (PubChem CID 106953186) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
PubChem CID106953186
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(c2cccc(Br)c2)NC1=O
InChIInChI=1S/C12H13BrN2O/c1-7(2)10-12(16)15-11(14-10)8-4-3-5-9(13)6-8/h3-7,10H,1-2H3,(H,14,15,16)
InChIKeyACMQUSRWOLJCOC-UHFFFAOYSA-N
XLogP2.35
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-hydroxy-3-(trifluoromethyl)phenyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 136827220
4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one
CID 106953040
5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 101452406
2-(1-aminoethyl)-5-(3-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79440809
2-[3-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)phenyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 19078011
2-(3-bromophenyl)-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-5-amine
CID 115065670
N-(3-bromophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide
CID 139526446
2-[(3-bromophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952204
1-bromo-3-phenylbenzene;ethane
CID 163977967
5-(3-bromophenyl)-1,4-dihydropyrazine-2,3-dione
CID 132588493
6-(3-bromophenyl)-1H-pyrimidin-2-one
CID 57438375
(4E)-4-[(3-bromophenyl)methylidene]-2-(3-fluorophenyl)-1H-imidazol-5-one
CID 136894615

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one (CID 106953186) is 2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one is CC(C)C1N=C(c2cccc(Br)c2)NC1=O.
What is the InChIKey of 2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The InChIKey is ACMQUSRWOLJCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-7(2)10-12(16)15-11(14-10)8-4-3-5-9(13)6-8/h3-7,10H,1-2H3,(H,14,15,16).
What are the key properties of 2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one has a molecular weight of 281.15 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106953186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).