3-benzyl-4-(4-bromophenyl)-1H-imidazol-2-one

C16H13BrN2O — CID 2414058

IUPAC3-benzyl-4-(4-bromophenyl)-1H-imidazol-2-one
SMILESO=c1[nH]cc(-c2ccc(Br)cc2)n1Cc1ccccc1
InChIInChI=1S/C16H13BrN2O/c17-14-8-6-13(7-9-14)15-10-18-16(20)19(15)11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,20)
InChIKeyVZYNHZORUVYZGZ-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.65
Rot. Bonds3

About 3-benzyl-4-(4-bromophenyl)-1H-imidazol-2-one

3-benzyl-4-(4-bromophenyl)-1H-imidazol-2-one (PubChem CID 2414058) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 3-benzyl-4-(4-bromophenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-benzyl-4-(4-bromophenyl)-1H-imidazol-2-one
PubChem CID2414058
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name3-benzyl-4-(4-bromophenyl)-1H-imidazol-2-one
SMILESO=c1[nH]cc(-c2ccc(Br)cc2)n1Cc1ccccc1
InChIInChI=1S/C16H13BrN2O/c17-14-8-6-13(7-9-14)15-10-18-16(20)19(15)11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,20)
InChIKeyVZYNHZORUVYZGZ-UHFFFAOYSA-N
XLogP3.65
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(4-bromophenyl)-1H-imidazol-2-one?
The IUPAC name of 3-benzyl-4-(4-bromophenyl)-1H-imidazol-2-one (CID 2414058) is 3-benzyl-4-(4-bromophenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-benzyl-4-(4-bromophenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-benzyl-4-(4-bromophenyl)-1H-imidazol-2-one is O=c1[nH]cc(-c2ccc(Br)cc2)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-(4-bromophenyl)-1H-imidazol-2-one?
The InChIKey is VZYNHZORUVYZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-14-8-6-13(7-9-14)15-10-18-16(20)19(15)11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,20).
What are the key properties of 3-benzyl-4-(4-bromophenyl)-1H-imidazol-2-one?
3-benzyl-4-(4-bromophenyl)-1H-imidazol-2-one has a molecular weight of 329.20 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(4-bromophenyl)-1H-imidazol-2-one is sourced from PubChem (CID 2414058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).