3H-benzimidazol-5-amine

C7H7N3 — CID 13623

IUPAC3H-benzimidazol-5-amine
SMILESNc1ccc2nc[nH]c2c1
InChIInChI=1S/C7H7N3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2,(H,9,10)
InChIKeyWFRXSXUDWCVSPI-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.15
Rot. Bonds

About 3H-benzimidazol-5-amine

3H-benzimidazol-5-amine (PubChem CID 13623) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 3H-benzimidazol-5-amine.

Molecular Properties

Compound Name3H-benzimidazol-5-amine
PubChem CID13623
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name3H-benzimidazol-5-amine
SMILESNc1ccc2nc[nH]c2c1
InChIInChI=1S/C7H7N3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2,(H,9,10)
InChIKeyWFRXSXUDWCVSPI-UHFFFAOYSA-N
XLogP1.15
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-amine?
The IUPAC name of 3H-benzimidazol-5-amine (CID 13623) is 3H-benzimidazol-5-amine.
What is the SMILES notation for 3H-benzimidazol-5-amine?
The canonical SMILES for 3H-benzimidazol-5-amine is Nc1ccc2nc[nH]c2c1.
What is the InChIKey of 3H-benzimidazol-5-amine?
The InChIKey is WFRXSXUDWCVSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2,(H,9,10).
What are the key properties of 3H-benzimidazol-5-amine?
3H-benzimidazol-5-amine has a molecular weight of 133.15 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-amine is sourced from PubChem (CID 13623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).