4-bromo-5-methoxy-3-methyl-1H-benzimidazol-2-one

C9H9BrN2O2 — CID 156860595

IUPAC4-bromo-5-methoxy-3-methyl-1H-benzimidazol-2-one
SMILESCOc1ccc2[nH]c(=O)n(C)c2c1Br
InChIInChI=1S/C9H9BrN2O2/c1-12-8-5(11-9(12)13)3-4-6(14-2)7(8)10/h3-4H,1-2H3,(H,11,13)
InChIKeyPMKBPUQJZSEDRX-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.64
Rot. Bonds1

About 4-bromo-5-methoxy-3-methyl-1H-benzimidazol-2-one

4-bromo-5-methoxy-3-methyl-1H-benzimidazol-2-one (PubChem CID 156860595) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is 4-bromo-5-methoxy-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-bromo-5-methoxy-3-methyl-1H-benzimidazol-2-one
PubChem CID156860595
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name4-bromo-5-methoxy-3-methyl-1H-benzimidazol-2-one
SMILESCOc1ccc2[nH]c(=O)n(C)c2c1Br
InChIInChI=1S/C9H9BrN2O2/c1-12-8-5(11-9(12)13)3-4-6(14-2)7(8)10/h3-4H,1-2H3,(H,11,13)
InChIKeyPMKBPUQJZSEDRX-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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Related Compounds

6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one
CID 170790380
4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one
CID 13295893
4,5-difluoro-3-methyl-1H-benzimidazol-2-one
CID 83415019
6-bromo-3-methyl-1H-quinazoline-2,4-dione
CID 3881862
1-(5-bromo-2-methoxyphenyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 79874877
4-ethyl-3-methyl-1H-benzimidazol-2-one
CID 84618376
8-bromo-7-methoxy-1H-quinolin-2-one
CID 169499503
3-ethyl-4-methoxy-1H-benzimidazol-2-one
CID 117209129
7-bromo-6-methoxy-1-methylindazole
CID 171662295
4-[3-(5-bromopentoxy)propyl]-3-methyl-1H-benzimidazol-2-one
CID 175840546
4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 117209214
4-bromo-5-methoxy-1H-benzimidazol-2-amine
CID 118526223

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxy-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 4-bromo-5-methoxy-3-methyl-1H-benzimidazol-2-one (CID 156860595) is 4-bromo-5-methoxy-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 4-bromo-5-methoxy-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 4-bromo-5-methoxy-3-methyl-1H-benzimidazol-2-one is COc1ccc2[nH]c(=O)n(C)c2c1Br.
What is the InChIKey of 4-bromo-5-methoxy-3-methyl-1H-benzimidazol-2-one?
The InChIKey is PMKBPUQJZSEDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-12-8-5(11-9(12)13)3-4-6(14-2)7(8)10/h3-4H,1-2H3,(H,11,13).
What are the key properties of 4-bromo-5-methoxy-3-methyl-1H-benzimidazol-2-one?
4-bromo-5-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 4-bromo-5-methoxy-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 156860595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).