2-imino-3-propylbenzimidazol-1-amine;hydroiodide

C10H15IN4 — CID 2853922

IUPAC2-imino-3-propylbenzimidazol-1-amine;hydroiodide
SMILESI.[H]/N=c1/n(N)c2ccccc2n1CCC
InChIInChI=1S/C10H14N4.HI/c1-2-7-13-8-5-3-4-6-9(8)14(12)10(13)11;/h3-6,11H,2,7,12H2,1H3;1H/b11-10+;
InChIKeyRSPVYECKZUDICY-ASTDGNLGSA-N
MW318.16 g/mol
LogP1.66
Rot. Bonds2

About 2-imino-3-propylbenzimidazol-1-amine;hydroiodide

2-imino-3-propylbenzimidazol-1-amine;hydroiodide (PubChem CID 2853922) has the molecular formula C10H15IN4 and a molecular weight of 318.16 g/mol. Its IUPAC name is 2-imino-3-propylbenzimidazol-1-amine;hydroiodide.

Molecular Properties

Compound Name2-imino-3-propylbenzimidazol-1-amine;hydroiodide
PubChem CID2853922
Molecular FormulaC10H15IN4
Molecular Weight318.16 g/mol
Exact Mass318.03
IUPAC Name2-imino-3-propylbenzimidazol-1-amine;hydroiodide
SMILESI.[H]/N=c1/n(N)c2ccccc2n1CCC
InChIInChI=1S/C10H14N4.HI/c1-2-7-13-8-5-3-4-6-9(8)14(12)10(13)11;/h3-6,11H,2,7,12H2,1H3;1H/b11-10+;
InChIKeyRSPVYECKZUDICY-ASTDGNLGSA-N
XLogP1.66
TPSA59.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imino-3-propylbenzimidazol-1-amine;hydroiodide?
The IUPAC name of 2-imino-3-propylbenzimidazol-1-amine;hydroiodide (CID 2853922) is 2-imino-3-propylbenzimidazol-1-amine;hydroiodide.
What is the SMILES notation for 2-imino-3-propylbenzimidazol-1-amine;hydroiodide?
The canonical SMILES for 2-imino-3-propylbenzimidazol-1-amine;hydroiodide is I.[H]/N=c1/n(N)c2ccccc2n1CCC.
What is the InChIKey of 2-imino-3-propylbenzimidazol-1-amine;hydroiodide?
The InChIKey is RSPVYECKZUDICY-ASTDGNLGSA-N. The full InChI is InChI=1S/C10H14N4.HI/c1-2-7-13-8-5-3-4-6-9(8)14(12)10(13)11;/h3-6,11H,2,7,12H2,1H3;1H/b11-10+;.
What are the key properties of 2-imino-3-propylbenzimidazol-1-amine;hydroiodide?
2-imino-3-propylbenzimidazol-1-amine;hydroiodide has a molecular weight of 318.16 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-propylbenzimidazol-1-amine;hydroiodide is sourced from PubChem (CID 2853922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).