1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one

C12H13BrN2O2 — CID 91480560

IUPAC1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one
SMILESCCn1c(O)cn(Cc2ccc(Br)cc2)c1=O
InChIInChI=1S/C12H13BrN2O2/c1-2-15-11(16)8-14(12(15)17)7-9-3-5-10(13)6-4-9/h3-6,8,16H,2,7H2,1H3
InChIKeyOOFJTUNJUHKBNO-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.19
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one

1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one (PubChem CID 91480560) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one
PubChem CID91480560
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one
SMILESCCn1c(O)cn(Cc2ccc(Br)cc2)c1=O
InChIInChI=1S/C12H13BrN2O2/c1-2-15-11(16)8-14(12(15)17)7-9-3-5-10(13)6-4-9/h3-6,8,16H,2,7H2,1H3
InChIKeyOOFJTUNJUHKBNO-UHFFFAOYSA-N
XLogP2.19
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(cyclobutylmethyl)-4-hydroxyimidazol-2-one
CID 90902067
1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one
CID 91320968
3-[(4-bromophenyl)methyl]-1-ethyl-5-iodopyrimidine-2,4-dione
CID 79787597
5-[4-[(3-ethyl-4-hydroxy-2-oxoimidazol-1-yl)methyl]phenyl]-2-(2-fluoroethyl)-3H-isoindol-1-one
CID 123361951
1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione
CID 10765948
2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid
CID 54352516
2-cyclobutyl-5-[4-[(3-ethyl-4-hydroxy-2-oxoimidazol-1-yl)methyl]phenyl]-3H-isoindol-1-one
CID 123872119
1-benzyl-4-hydroxy-3-methylimidazol-2-one
CID 54295474
4-[(4-bromophenyl)methyl]-2-ethyl-1,2,4-thiadiazolidine-3,5-dione
CID 171616643
3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one
CID 91522844
3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane
CID 142249810
4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one
CID 91258588

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one (CID 91480560) is 1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one is CCn1c(O)cn(Cc2ccc(Br)cc2)c1=O.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one?
The InChIKey is OOFJTUNJUHKBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-2-15-11(16)8-14(12(15)17)7-9-3-5-10(13)6-4-9/h3-6,8,16H,2,7H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one?
1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one has a molecular weight of 297.15 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one is sourced from PubChem (CID 91480560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).