1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine

C13H19N3O2 — CID 82336590

IUPAC1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
SMILESCOc1cc2nc(C(C)N(C)C)[nH]c2cc1OC
InChIInChI=1S/C13H19N3O2/c1-8(16(2)3)13-14-9-6-11(17-4)12(18-5)7-10(9)15-13/h6-8H,1-5H3,(H,14,15)
InChIKeyVKQBSZBOYRPGRD-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.20
Rot. Bonds4

About 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine

1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine (PubChem CID 82336590) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
PubChem CID82336590
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
SMILESCOc1cc2nc(C(C)N(C)C)[nH]c2cc1OC
InChIInChI=1S/C13H19N3O2/c1-8(16(2)3)13-14-9-6-11(17-4)12(18-5)7-10(9)15-13/h6-8H,1-5H3,(H,14,15)
InChIKeyVKQBSZBOYRPGRD-UHFFFAOYSA-N
XLogP2.20
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol
CID 66264286
3-(5,6-dimethoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 113416030
2-benzhydryl-5,6-dimethoxy-1H-benzimidazole
CID 82144272
N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 55150957
2-tert-butyl-5,6-dimethoxy-1H-benzimidazole
CID 39158314
2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-methylamino]ethanol
CID 82563027
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid
CID 61366087
2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride
CID 75481538
2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol
CID 82336077
3-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]propanoic acid
CID 82336086
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine
CID 55124065
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine (CID 82336590) is 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine is COc1cc2nc(C(C)N(C)C)[nH]c2cc1OC.
What is the InChIKey of 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine?
The InChIKey is VKQBSZBOYRPGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(16(2)3)13-14-9-6-11(17-4)12(18-5)7-10(9)15-13/h6-8H,1-5H3,(H,14,15).
What are the key properties of 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine?
1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine has a molecular weight of 249.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 82336590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).