1H-benzimidazole-2,4-diamine;hydrochloride

C7H9ClN4 — CID 169014009

IUPAC1H-benzimidazole-2,4-diamine;hydrochloride
SMILESCl.Nc1nc2c(N)cccc2[nH]1
InChIInChI=1S/C7H8N4.ClH/c8-4-2-1-3-5-6(4)11-7(9)10-5;/h1-3H,8H2,(H3,9,10,11);1H
InChIKeyBMJASHOUXLMSEN-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.15
Rot. Bonds

About 1H-benzimidazole-2,4-diamine;hydrochloride

1H-benzimidazole-2,4-diamine;hydrochloride (PubChem CID 169014009) has the molecular formula C7H9ClN4 and a molecular weight of 184.63 g/mol. Its IUPAC name is 1H-benzimidazole-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name1H-benzimidazole-2,4-diamine;hydrochloride
PubChem CID169014009
Molecular FormulaC7H9ClN4
Molecular Weight184.63 g/mol
Exact Mass184.05
IUPAC Name1H-benzimidazole-2,4-diamine;hydrochloride
SMILESCl.Nc1nc2c(N)cccc2[nH]1
InChIInChI=1S/C7H8N4.ClH/c8-4-2-1-3-5-6(4)11-7(9)10-5;/h1-3H,8H2,(H3,9,10,11);1H
InChIKeyBMJASHOUXLMSEN-UHFFFAOYSA-N
XLogP1.15
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.15
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-2,4-diamine;hydrochloride?
The IUPAC name of 1H-benzimidazole-2,4-diamine;hydrochloride (CID 169014009) is 1H-benzimidazole-2,4-diamine;hydrochloride.
What is the SMILES notation for 1H-benzimidazole-2,4-diamine;hydrochloride?
The canonical SMILES for 1H-benzimidazole-2,4-diamine;hydrochloride is Cl.Nc1nc2c(N)cccc2[nH]1.
What is the InChIKey of 1H-benzimidazole-2,4-diamine;hydrochloride?
The InChIKey is BMJASHOUXLMSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4.ClH/c8-4-2-1-3-5-6(4)11-7(9)10-5;/h1-3H,8H2,(H3,9,10,11);1H.
What are the key properties of 1H-benzimidazole-2,4-diamine;hydrochloride?
1H-benzimidazole-2,4-diamine;hydrochloride has a molecular weight of 184.63 g/mol, XLogP of 1.15, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole-2,4-diamine;hydrochloride is sourced from PubChem (CID 169014009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).