4-(4-bromophenyl)-1,3-dihydroimidazol-2-one

C9H7BrN2O — CID 13149226

IUPAC4-(4-bromophenyl)-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8-5-11-9(13)12-8/h1-5H,(H2,11,12,13)
InChIKeyZQZRRGGPCCTNFN-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.13
Rot. Bonds1

About 4-(4-bromophenyl)-1,3-dihydroimidazol-2-one

4-(4-bromophenyl)-1,3-dihydroimidazol-2-one (PubChem CID 13149226) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-1,3-dihydroimidazol-2-one
PubChem CID13149226
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name4-(4-bromophenyl)-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8-5-11-9(13)12-8/h1-5H,(H2,11,12,13)
InChIKeyZQZRRGGPCCTNFN-UHFFFAOYSA-N
XLogP2.13
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(4-bromophenyl)-1,3-dihydroimidazol-2-one (CID 13149226) is 4-(4-bromophenyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(4-bromophenyl)-1,3-dihydroimidazol-2-one is O=c1[nH]cc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of 4-(4-bromophenyl)-1,3-dihydroimidazol-2-one?
The InChIKey is ZQZRRGGPCCTNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8-5-11-9(13)12-8/h1-5H,(H2,11,12,13).
What are the key properties of 4-(4-bromophenyl)-1,3-dihydroimidazol-2-one?
4-(4-bromophenyl)-1,3-dihydroimidazol-2-one has a molecular weight of 239.07 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 13149226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).