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

C8H7BrN2O — CID 82184448

IUPAC6-bromo-4-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(Br)cc2[nH]c(=O)[nH]c12
InChIInChI=1S/C8H7BrN2O/c1-4-2-5(9)3-6-7(4)11-8(12)10-6/h2-3H,1H3,(H2,10,11,12)
InChIKeyUBNFKUNMRKVJDV-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.93
Rot. Bonds

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

6-bromo-4-methyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 82184448) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 6-bromo-4-methyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-bromo-4-methyl-1,3-dihydrobenzimidazol-2-one
PubChem CID82184448
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name6-bromo-4-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(Br)cc2[nH]c(=O)[nH]c12
InChIInChI=1S/C8H7BrN2O/c1-4-2-5(9)3-6-7(4)11-8(12)10-6/h2-3H,1H3,(H2,10,11,12)
InChIKeyUBNFKUNMRKVJDV-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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 6-bromo-4-methyl-1,3-dihydrobenzimidazol-2-one (CID 82184448) is 6-bromo-4-methyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-bromo-4-methyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-bromo-4-methyl-1,3-dihydrobenzimidazol-2-one is Cc1cc(Br)cc2[nH]c(=O)[nH]c12.
What is the InChIKey of 6-bromo-4-methyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is UBNFKUNMRKVJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-4-2-5(9)3-6-7(4)11-8(12)10-6/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 6-bromo-4-methyl-1,3-dihydrobenzimidazol-2-one?
6-bromo-4-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 6-bromo-4-methyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 82184448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).