3-[(2-bromophenyl)methyl]-1H-imidazol-2-one

C10H9BrN2O — CID 102280401

IUPAC3-[(2-bromophenyl)methyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1Cc1ccccc1Br
InChIInChI=1S/C10H9BrN2O/c11-9-4-2-1-3-8(9)7-13-6-5-12-10(13)14/h1-6H,7H2,(H,12,14)
InChIKeyZBEYFDKTXUEHRC-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.99
Rot. Bonds2

About 3-[(2-bromophenyl)methyl]-1H-imidazol-2-one

3-[(2-bromophenyl)methyl]-1H-imidazol-2-one (PubChem CID 102280401) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-1H-imidazol-2-one
PubChem CID102280401
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name3-[(2-bromophenyl)methyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1Cc1ccccc1Br
InChIInChI=1S/C10H9BrN2O/c11-9-4-2-1-3-8(9)7-13-6-5-12-10(13)14/h1-6H,7H2,(H,12,14)
InChIKeyZBEYFDKTXUEHRC-UHFFFAOYSA-N
XLogP1.99
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2,3-dihydro-1H-imidazol-2-one
CID 2817661
2H-Imidazol-2-one, 5-(4-bromophenyl)-1,3-dihydro-1-(phenylmethyl)-
CID 2414058
1,3-Dihydro-1-methyl-4-phenyl-2H-imidazol-2-one
CID 20668706
4-phenyl-2,3-dihydro-1H-imidazol-2-one
CID 11062677
1-methyl-5-phenyl-2,3-dihydro-1H-imidazol-2-one
CID 13665716
Hydantoin Derivative 37
CID 53631029
1-[(4-Bromophenyl)methyl]-1,3-dihydro-2H-imidazole-2-thione
CID 44307075
4-(4-Bromophenyl)-1,3-dihydro-2H-imidazol-2-one
CID 13149226
1-(3-Amino-2,2-dimethylpropyl)-1-[(2-bromophenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 172436825
N-((2-Bromophenyl)phenylmethyl)urea
CID 2853590
1-Benzyl-3,4-dihydro-2(1H)-pyrimidinon
CID 13616338
1-(4-Bromobenzyl)urea
CID 10609435

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]-1H-imidazol-2-one?
The IUPAC name of 3-[(2-bromophenyl)methyl]-1H-imidazol-2-one (CID 102280401) is 3-[(2-bromophenyl)methyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-1H-imidazol-2-one is O=c1[nH]ccn1Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-1H-imidazol-2-one?
The InChIKey is ZBEYFDKTXUEHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-9-4-2-1-3-8(9)7-13-6-5-12-10(13)14/h1-6H,7H2,(H,12,14).
What are the key properties of 3-[(2-bromophenyl)methyl]-1H-imidazol-2-one?
3-[(2-bromophenyl)methyl]-1H-imidazol-2-one has a molecular weight of 253.10 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]-1H-imidazol-2-one is sourced from PubChem (CID 102280401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).