5,6-dimethoxy-1H-benzimidazol-2-amine

C9H11N3O2 — CID 19017768

IUPAC5,6-dimethoxy-1H-benzimidazol-2-amine
SMILESCOc1cc2nc(N)[nH]c2cc1OC
InChIInChI=1S/C9H11N3O2/c1-13-7-3-5-6(4-8(7)14-2)12-9(10)11-5/h3-4H,1-2H3,(H3,10,11,12)
InChIKeyPOWPTEBMSHLSRA-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.16
Rot. Bonds2

About 5,6-dimethoxy-1H-benzimidazol-2-amine

5,6-dimethoxy-1H-benzimidazol-2-amine (PubChem CID 19017768) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5,6-dimethoxy-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dimethoxy-1H-benzimidazol-2-amine
PubChem CID19017768
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name5,6-dimethoxy-1H-benzimidazol-2-amine
SMILESCOc1cc2nc(N)[nH]c2cc1OC
InChIInChI=1S/C9H11N3O2/c1-13-7-3-5-6(4-8(7)14-2)12-9(10)11-5/h3-4H,1-2H3,(H3,10,11,12)
InChIKeyPOWPTEBMSHLSRA-UHFFFAOYSA-N
XLogP1.16
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1H-benzimidazol-2-amine?
The IUPAC name of 5,6-dimethoxy-1H-benzimidazol-2-amine (CID 19017768) is 5,6-dimethoxy-1H-benzimidazol-2-amine.
What is the SMILES notation for 5,6-dimethoxy-1H-benzimidazol-2-amine?
The canonical SMILES for 5,6-dimethoxy-1H-benzimidazol-2-amine is COc1cc2nc(N)[nH]c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-1H-benzimidazol-2-amine?
The InChIKey is POWPTEBMSHLSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-13-7-3-5-6(4-8(7)14-2)12-9(10)11-5/h3-4H,1-2H3,(H3,10,11,12).
What are the key properties of 5,6-dimethoxy-1H-benzimidazol-2-amine?
5,6-dimethoxy-1H-benzimidazol-2-amine has a molecular weight of 193.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1H-benzimidazol-2-amine is sourced from PubChem (CID 19017768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).