6-(dimethoxymethyl)-1H-benzimidazole

C10H12N2O2 — CID 141171021

IUPAC6-(dimethoxymethyl)-1H-benzimidazole
SMILESCOC(OC)c1ccc2nc[nH]c2c1
InChIInChI=1S/C10H12N2O2/c1-13-10(14-2)7-3-4-8-9(5-7)12-6-11-8/h3-6,10H,1-2H3,(H,11,12)
InChIKeyACBPTDZWNUJTQE-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.85
Rot. Bonds3

About 6-(dimethoxymethyl)-1H-benzimidazole

6-(dimethoxymethyl)-1H-benzimidazole (PubChem CID 141171021) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-(dimethoxymethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(dimethoxymethyl)-1H-benzimidazole
PubChem CID141171021
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-(dimethoxymethyl)-1H-benzimidazole
SMILESCOC(OC)c1ccc2nc[nH]c2c1
InChIInChI=1S/C10H12N2O2/c1-13-10(14-2)7-3-4-8-9(5-7)12-6-11-8/h3-6,10H,1-2H3,(H,11,12)
InChIKeyACBPTDZWNUJTQE-UHFFFAOYSA-N
XLogP1.85
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-pentan-3-yl-1H-benzimidazole
CID 134401277
CID 157410638
CID 157410638
methyl 3-(3H-benzimidazol-5-yl)-3-(dimethylamino)propanoate
CID 116910225
2-(3H-benzimidazol-5-yl)butanenitrile
CID 116964577
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile
CID 116909829
1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947969
2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde
CID 116954226
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)ethanol
CID 116857291
1,3-bis(3H-benzimidazol-5-yl)-1,3-dibromopropan-2-one
CID 22163885
(2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 96741805
2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 70374087
N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 163537798

Frequently Asked Questions

What is the IUPAC name of 6-(dimethoxymethyl)-1H-benzimidazole?
The IUPAC name of 6-(dimethoxymethyl)-1H-benzimidazole (CID 141171021) is 6-(dimethoxymethyl)-1H-benzimidazole.
What is the SMILES notation for 6-(dimethoxymethyl)-1H-benzimidazole?
The canonical SMILES for 6-(dimethoxymethyl)-1H-benzimidazole is COC(OC)c1ccc2nc[nH]c2c1.
What is the InChIKey of 6-(dimethoxymethyl)-1H-benzimidazole?
The InChIKey is ACBPTDZWNUJTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-13-10(14-2)7-3-4-8-9(5-7)12-6-11-8/h3-6,10H,1-2H3,(H,11,12).
What are the key properties of 6-(dimethoxymethyl)-1H-benzimidazole?
6-(dimethoxymethyl)-1H-benzimidazole has a molecular weight of 192.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethoxymethyl)-1H-benzimidazole is sourced from PubChem (CID 141171021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).