6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one

C9H9BrN2O2 — CID 170790380

IUPAC6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one
SMILESCOc1cc(Br)cc2[nH]c(=O)n(C)c12
InChIInChI=1S/C9H9BrN2O2/c1-12-8-6(11-9(12)13)3-5(10)4-7(8)14-2/h3-4H,1-2H3,(H,11,13)
InChIKeyYDPONIHWNATKQT-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.64
Rot. Bonds1

About 6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one

6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one (PubChem CID 170790380) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is 6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one
PubChem CID170790380
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one
SMILESCOc1cc(Br)cc2[nH]c(=O)n(C)c12
InChIInChI=1S/C9H9BrN2O2/c1-12-8-6(11-9(12)13)3-5(10)4-7(8)14-2/h3-4H,1-2H3,(H,11,13)
InChIKeyYDPONIHWNATKQT-UHFFFAOYSA-N
XLogP1.64
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one (CID 170790380) is 6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one is COc1cc(Br)cc2[nH]c(=O)n(C)c12.
What is the InChIKey of 6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one?
The InChIKey is YDPONIHWNATKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-12-8-6(11-9(12)13)3-5(10)4-7(8)14-2/h3-4H,1-2H3,(H,11,13).
What are the key properties of 6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one?
6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one has a molecular weight of 257.09 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 170790380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).