2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one

C11H11BrN2O — CID 106953323

IUPAC2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one
SMILESCC1(C)N=C(c2ccc(Br)cc2)NC1=O
InChIInChI=1S/C11H11BrN2O/c1-11(2)10(15)13-9(14-11)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H,13,14,15)
InChIKeyQIAVXAXKZGJBHX-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.10
Rot. Bonds1

About 2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one

2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one (PubChem CID 106953323) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one
PubChem CID106953323
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one
SMILESCC1(C)N=C(c2ccc(Br)cc2)NC1=O
InChIInChI=1S/C11H11BrN2O/c1-11(2)10(15)13-9(14-11)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H,13,14,15)
InChIKeyQIAVXAXKZGJBHX-UHFFFAOYSA-N
XLogP2.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one?
The IUPAC name of 2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one (CID 106953323) is 2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one.
What is the SMILES notation for 2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one?
The canonical SMILES for 2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one is CC1(C)N=C(c2ccc(Br)cc2)NC1=O.
What is the InChIKey of 2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one?
The InChIKey is QIAVXAXKZGJBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-11(2)10(15)13-9(14-11)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H,13,14,15).
What are the key properties of 2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one?
2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one has a molecular weight of 267.13 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one is sourced from PubChem (CID 106953323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).