1H-benzimidazole-5,6-diamine

C7H8N4 — CID 2773193

IUPAC1H-benzimidazole-5,6-diamine
SMILESNc1cc2nc[nH]c2cc1N
InChIInChI=1S/C7H8N4/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,8-9H2,(H,10,11)
InChIKeySJVPHAOWYMKBPE-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.73
Rot. Bonds

About 1H-benzimidazole-5,6-diamine

1H-benzimidazole-5,6-diamine (PubChem CID 2773193) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 1H-benzimidazole-5,6-diamine.

Molecular Properties

Compound Name1H-benzimidazole-5,6-diamine
PubChem CID2773193
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name1H-benzimidazole-5,6-diamine
SMILESNc1cc2nc[nH]c2cc1N
InChIInChI=1S/C7H8N4/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,8-9H2,(H,10,11)
InChIKeySJVPHAOWYMKBPE-UHFFFAOYSA-N
XLogP0.73
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole-5,6-diamine?
The IUPAC name of 1H-benzimidazole-5,6-diamine (CID 2773193) is 1H-benzimidazole-5,6-diamine.
What is the SMILES notation for 1H-benzimidazole-5,6-diamine?
The canonical SMILES for 1H-benzimidazole-5,6-diamine is Nc1cc2nc[nH]c2cc1N.
What is the InChIKey of 1H-benzimidazole-5,6-diamine?
The InChIKey is SJVPHAOWYMKBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,8-9H2,(H,10,11).
What are the key properties of 1H-benzimidazole-5,6-diamine?
1H-benzimidazole-5,6-diamine has a molecular weight of 148.17 g/mol, XLogP of 0.73, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole-5,6-diamine is sourced from PubChem (CID 2773193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).