4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one

C10H12N2O3 — CID 13295893

IUPAC4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one
SMILESCOc1ccc(OC)c2c1[nH]c(=O)n2C
InChIInChI=1S/C10H12N2O3/c1-12-9-7(15-3)5-4-6(14-2)8(9)11-10(12)13/h4-5H,1-3H3,(H,11,13)
InChIKeyGCBXTQGEUHMEDF-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.88
Rot. Bonds2

About 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one

4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one (PubChem CID 13295893) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one
PubChem CID13295893
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one
SMILESCOc1ccc(OC)c2c1[nH]c(=O)n2C
InChIInChI=1S/C10H12N2O3/c1-12-9-7(15-3)5-4-6(14-2)8(9)11-10(12)13/h4-5H,1-3H3,(H,11,13)
InChIKeyGCBXTQGEUHMEDF-UHFFFAOYSA-N
XLogP0.88
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-methoxy-3-methyl-1H-benzimidazol-2-one
CID 156860595
6-bromo-4-methoxy-3-methyl-1H-benzimidazol-2-one
CID 170790380
5-methoxy-6-methyl-1H-pyridin-2-one
CID 22754801
7-methoxy-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 19771132
8-methoxy-3-propyl-1H-quinazoline-2,4-dione
CID 117261902
7-benzyl-3-methyl-4-[2-(methylamino)ethoxy]-1H-benzimidazol-2-one;hydrochloride
CID 69260416
3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
CID 117206915
7-methoxy-2,3-dimethyl-1H-indol-4-amine;7-methoxy-1,2,3-trimethylindol-4-amine
CID 67973389
8-methoxy-1-methylquinolin-2-one
CID 742791
5,8-dimethoxy-2,3-dimethylphthalazine-1,4-dione
CID 10060652
3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117263372
6-[2-(3,4-dimethoxyphenyl)ethylamino]-9-methyl-7H-purin-8-one
CID 163344791

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one (CID 13295893) is 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one is COc1ccc(OC)c2c1[nH]c(=O)n2C.
What is the InChIKey of 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one?
The InChIKey is GCBXTQGEUHMEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-12-9-7(15-3)5-4-6(14-2)8(9)11-10(12)13/h4-5H,1-3H3,(H,11,13).
What are the key properties of 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one?
4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one has a molecular weight of 208.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 13295893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).