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

C15H17BrN2O2 — CID 90902067

IUPAC1-[(4-bromophenyl)methyl]-3-(cyclobutylmethyl)-4-hydroxyimidazol-2-one
SMILESO=c1n(Cc2ccc(Br)cc2)cc(O)n1CC1CCC1
InChIInChI=1S/C15H17BrN2O2/c16-13-6-4-12(5-7-13)8-17-10-14(19)18(15(17)20)9-11-2-1-3-11/h4-7,10-11,19H,1-3,8-9H2
InChIKeyMUJWHROQFBXQIK-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.97
Rot. Bonds4

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

1-[(4-bromophenyl)methyl]-3-(cyclobutylmethyl)-4-hydroxyimidazol-2-one (PubChem CID 90902067) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-(cyclobutylmethyl)-4-hydroxyimidazol-2-one.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-(cyclobutylmethyl)-4-hydroxyimidazol-2-one
PubChem CID90902067
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name1-[(4-bromophenyl)methyl]-3-(cyclobutylmethyl)-4-hydroxyimidazol-2-one
SMILESO=c1n(Cc2ccc(Br)cc2)cc(O)n1CC1CCC1
InChIInChI=1S/C15H17BrN2O2/c16-13-6-4-12(5-7-13)8-17-10-14(19)18(15(17)20)9-11-2-1-3-11/h4-7,10-11,19H,1-3,8-9H2
InChIKeyMUJWHROQFBXQIK-UHFFFAOYSA-N
XLogP2.97
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one
CID 91480560
1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one
CID 91320968
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
5-amino-1-(cyclobutylmethyl)pyridin-2-one
CID 65457574
3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one
CID 91522844
1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylcyclopropanecarboxamide
CID 3665186
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylcyclopentanecarboxamide
CID 3954494
5-bromo-1-[1-[1-(cyclobutylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]pyridin-2-one
CID 139467221

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-(cyclobutylmethyl)-4-hydroxyimidazol-2-one?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-(cyclobutylmethyl)-4-hydroxyimidazol-2-one (CID 90902067) is 1-[(4-bromophenyl)methyl]-3-(cyclobutylmethyl)-4-hydroxyimidazol-2-one.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-(cyclobutylmethyl)-4-hydroxyimidazol-2-one?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-(cyclobutylmethyl)-4-hydroxyimidazol-2-one is O=c1n(Cc2ccc(Br)cc2)cc(O)n1CC1CCC1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-(cyclobutylmethyl)-4-hydroxyimidazol-2-one?
The InChIKey is MUJWHROQFBXQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-13-6-4-12(5-7-13)8-17-10-14(19)18(15(17)20)9-11-2-1-3-11/h4-7,10-11,19H,1-3,8-9H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-3-(cyclobutylmethyl)-4-hydroxyimidazol-2-one?
1-[(4-bromophenyl)methyl]-3-(cyclobutylmethyl)-4-hydroxyimidazol-2-one has a molecular weight of 337.22 g/mol, XLogP of 2.97, 4 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-(cyclobutylmethyl)-4-hydroxyimidazol-2-one is sourced from PubChem (CID 90902067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).