1-ethylbenzimidazol-5-amine;dihydrochloride

C9H13Cl2N3 — CID 46735992

IUPAC1-ethylbenzimidazol-5-amine;dihydrochloride
SMILESCCn1cnc2cc(N)ccc21.Cl.Cl
InChIInChI=1S/C9H11N3.2ClH/c1-2-12-6-11-8-5-7(10)3-4-9(8)12;;/h3-6H,2,10H2,1H3;2*1H
InChIKeyDRXMQJJUWZCXFB-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.48
Rot. Bonds1

About 1-ethylbenzimidazol-5-amine;dihydrochloride

1-ethylbenzimidazol-5-amine;dihydrochloride (PubChem CID 46735992) has the molecular formula C9H13Cl2N3 and a molecular weight of 234.13 g/mol. Its IUPAC name is 1-ethylbenzimidazol-5-amine;dihydrochloride.

Molecular Properties

Compound Name1-ethylbenzimidazol-5-amine;dihydrochloride
PubChem CID46735992
Molecular FormulaC9H13Cl2N3
Molecular Weight234.13 g/mol
Exact Mass233.05
IUPAC Name1-ethylbenzimidazol-5-amine;dihydrochloride
SMILESCCn1cnc2cc(N)ccc21.Cl.Cl
InChIInChI=1S/C9H11N3.2ClH/c1-2-12-6-11-8-5-7(10)3-4-9(8)12;;/h3-6H,2,10H2,1H3;2*1H
InChIKeyDRXMQJJUWZCXFB-UHFFFAOYSA-N
XLogP2.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.48
H-Bond Donors ≤ 51
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 1-ethylbenzimidazol-5-amine;dihydrochloride?
The IUPAC name of 1-ethylbenzimidazol-5-amine;dihydrochloride (CID 46735992) is 1-ethylbenzimidazol-5-amine;dihydrochloride.
What is the SMILES notation for 1-ethylbenzimidazol-5-amine;dihydrochloride?
The canonical SMILES for 1-ethylbenzimidazol-5-amine;dihydrochloride is CCn1cnc2cc(N)ccc21.Cl.Cl.
What is the InChIKey of 1-ethylbenzimidazol-5-amine;dihydrochloride?
The InChIKey is DRXMQJJUWZCXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.2ClH/c1-2-12-6-11-8-5-7(10)3-4-9(8)12;;/h3-6H,2,10H2,1H3;2*1H.
What are the key properties of 1-ethylbenzimidazol-5-amine;dihydrochloride?
1-ethylbenzimidazol-5-amine;dihydrochloride has a molecular weight of 234.13 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylbenzimidazol-5-amine;dihydrochloride is sourced from PubChem (CID 46735992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).