7-methoxy-1H-benzimidazole-2,4-diamine

C8H10N4O — CID 130849289

IUPAC7-methoxy-1H-benzimidazole-2,4-diamine
SMILESCOc1ccc(N)c2nc(N)[nH]c12
InChIInChI=1S/C8H10N4O/c1-13-5-3-2-4(9)6-7(5)12-8(10)11-6/h2-3H,9H2,1H3,(H3,10,11,12)
InChIKeyJKDIUINMBVADGI-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.74
Rot. Bonds1

About 7-methoxy-1H-benzimidazole-2,4-diamine

7-methoxy-1H-benzimidazole-2,4-diamine (PubChem CID 130849289) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 7-methoxy-1H-benzimidazole-2,4-diamine.

Molecular Properties

Compound Name7-methoxy-1H-benzimidazole-2,4-diamine
PubChem CID130849289
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name7-methoxy-1H-benzimidazole-2,4-diamine
SMILESCOc1ccc(N)c2nc(N)[nH]c12
InChIInChI=1S/C8H10N4O/c1-13-5-3-2-4(9)6-7(5)12-8(10)11-6/h2-3H,9H2,1H3,(H3,10,11,12)
InChIKeyJKDIUINMBVADGI-UHFFFAOYSA-N
XLogP0.74
TPSA89.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-methoxy-1H-benzimidazol-2-amine
CID 118526223
2-ethyl-4,7-dimethoxy-1H-benzimidazole
CID 67341831
7-methoxy-1H-indazol-4-amine
CID 171597914
2,3,4-trimethoxyaniline
CID 15455622
7-nitro-3H-benzimidazole-2,4-diamine
CID 137243204
5-methoxyacridin-4-amine
CID 11053298
7-(bromomethyl)-3H-benzimidazole-2,4-diamine
CID 130780242
1-methoxy-5,6,7,8-tetrahydroacridin-4-amine
CID 54268176
4-methoxy-2,3-dimethylaniline
CID 11094809
4-chloro-5-methoxyquinolin-8-amine
CID 19592989
8-methoxy-2,5-dimethylquinolin-4-amine
CID 62202032
3-amino-5-methoxy-1H-quinoxalin-2-one;3-amino-8-methoxy-1H-quinoxalin-2-one
CID 159397160

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1H-benzimidazole-2,4-diamine?
The IUPAC name of 7-methoxy-1H-benzimidazole-2,4-diamine (CID 130849289) is 7-methoxy-1H-benzimidazole-2,4-diamine.
What is the SMILES notation for 7-methoxy-1H-benzimidazole-2,4-diamine?
The canonical SMILES for 7-methoxy-1H-benzimidazole-2,4-diamine is COc1ccc(N)c2nc(N)[nH]c12.
What is the InChIKey of 7-methoxy-1H-benzimidazole-2,4-diamine?
The InChIKey is JKDIUINMBVADGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-13-5-3-2-4(9)6-7(5)12-8(10)11-6/h2-3H,9H2,1H3,(H3,10,11,12).
What are the key properties of 7-methoxy-1H-benzimidazole-2,4-diamine?
7-methoxy-1H-benzimidazole-2,4-diamine has a molecular weight of 178.19 g/mol, XLogP of 0.74, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1H-benzimidazole-2,4-diamine is sourced from PubChem (CID 130849289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).