5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine

C15H23N3O3 — CID 83003459

IUPAC5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine
SMILESCCCC(COC)n1c(N)nc2cc(OC)c(OC)cc21
InChIInChI=1S/C15H23N3O3/c1-5-6-10(9-19-2)18-12-8-14(21-4)13(20-3)7-11(12)17-15(18)16/h7-8,10H,5-6,9H2,1-4H3,(H2,16,17)
InChIKeyJAUFMXOMDPJMLP-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.62
Rot. Bonds7

About 5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine

5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine (PubChem CID 83003459) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine
PubChem CID83003459
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine
SMILESCCCC(COC)n1c(N)nc2cc(OC)c(OC)cc21
InChIInChI=1S/C15H23N3O3/c1-5-6-10(9-19-2)18-12-8-14(21-4)13(20-3)7-11(12)17-15(18)16/h7-8,10H,5-6,9H2,1-4H3,(H2,16,17)
InChIKeyJAUFMXOMDPJMLP-UHFFFAOYSA-N
XLogP2.62
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine?
The IUPAC name of 5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine (CID 83003459) is 5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine is CCCC(COC)n1c(N)nc2cc(OC)c(OC)cc21.
What is the InChIKey of 5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine?
The InChIKey is JAUFMXOMDPJMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-6-10(9-19-2)18-12-8-14(21-4)13(20-3)7-11(12)17-15(18)16/h7-8,10H,5-6,9H2,1-4H3,(H2,16,17).
What are the key properties of 5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine?
5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine has a molecular weight of 293.37 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1-(1-methoxypentan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 83003459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).