1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one

C14H12BrN3O3 — CID 91320968

IUPAC1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one
SMILESO=c1n(Cc2ccc(Br)cc2)cc(O)n1Cc1cnco1
InChIInChI=1S/C14H12BrN3O3/c15-11-3-1-10(2-4-11)6-17-8-13(19)18(14(17)20)7-12-5-16-9-21-12/h1-5,8-9,19H,6-7H2
InChIKeyMTRMQDKPUZDRGA-UHFFFAOYSA-N
MW350.17 g/mol
LogP2.20
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one

1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one (PubChem CID 91320968) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one
PubChem CID91320968
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one
SMILESO=c1n(Cc2ccc(Br)cc2)cc(O)n1Cc1cnco1
InChIInChI=1S/C14H12BrN3O3/c15-11-3-1-10(2-4-11)6-17-8-13(19)18(14(17)20)7-12-5-16-9-21-12/h1-5,8-9,19H,6-7H2
InChIKeyMTRMQDKPUZDRGA-UHFFFAOYSA-N
XLogP2.20
TPSA73.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one
CID 91480560
1-[(4-bromophenyl)methyl]-3-(cyclobutylmethyl)-4-hydroxyimidazol-2-one
CID 90902067
3-[(4-bromophenyl)methyl]-4-hydroxy-1,3-oxazol-2-one
CID 91522844
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
3-[(4-bromophenyl)methyl]-1-ethyl-5-iodopyrimidine-2,4-dione
CID 79787597
5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one
CID 79355957
3-amino-5-bromo-1-[(4-bromophenyl)methyl]pyridin-4-one
CID 103961993
5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one
CID 66289934
4-[3-(1,3-oxazol-5-yl)propyl]phenol
CID 67940828
1-benzyl-4-hydroxy-3-methylimidazol-2-one
CID 54295474
4-hydroxy-3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazol-2-one
CID 123776067

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one (CID 91320968) is 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one is O=c1n(Cc2ccc(Br)cc2)cc(O)n1Cc1cnco1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one?
The InChIKey is MTRMQDKPUZDRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c15-11-3-1-10(2-4-11)6-17-8-13(19)18(14(17)20)7-12-5-16-9-21-12/h1-5,8-9,19H,6-7H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one?
1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one has a molecular weight of 350.17 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-hydroxy-3-(1,3-oxazol-5-ylmethyl)imidazol-2-one is sourced from PubChem (CID 91320968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).