4-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one

C8H7BrN2O — CID 82184447

IUPAC4-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(Br)c2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C8H7BrN2O/c1-4-2-5(9)7-6(3-4)10-8(12)11-7/h2-3H,1H3,(H2,10,11,12)
InChIKeyFYBZHJVKBRGJRF-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.93
Rot. Bonds

About 4-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one

4-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 82184447) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 4-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one
PubChem CID82184447
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name4-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(Br)c2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C8H7BrN2O/c1-4-2-5(9)7-6(3-4)10-8(12)11-7/h2-3H,1H3,(H2,10,11,12)
InChIKeyFYBZHJVKBRGJRF-UHFFFAOYSA-N
XLogP1.93
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methylbenzimidazolone
CID 223134
1-(2-Bromo-4-methylphenyl)-3-(3-methylphenyl)urea
CID 1225240
5-Bromo-6-methyl-1H-benzo[d]imidazol-2(3H)-one
CID 10105130
7-bromo-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 59635470
4-Bromo-1,3-dihydro-2H-benzimidazol-2-one
CID 66877497
6-bromo-4-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 82184448
7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one
CID 69259305
7-Bromo-2-oxo-1,3-dihydrobenzimidazole-5-carbonitrile
CID 177798093
(2-Bromo-4-methylphenyl)urea
CID 20112328
4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol
CID 2736428
4-Bromo-6-trifluoromethyl-1,3-dihydrobenzoimidazol-2-one
CID 11580021
4-Bromo-6-fluoro-1,3-dihydro-benzoimidazol-2-one
CID 70672059

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one (CID 82184447) is 4-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one is Cc1cc(Br)c2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 4-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is FYBZHJVKBRGJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-4-2-5(9)7-6(3-4)10-8(12)11-7/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 4-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one?
4-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 227.06 g/mol, XLogP of 1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 82184447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).