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

C8H11IN4 — CID 2849534

IUPAC2-imino-3-methylbenzimidazol-1-amine;hydroiodide
SMILESI.[H]/N=c1\n(C)c2ccccc2n1N
InChIInChI=1S/C8H10N4.HI/c1-11-6-4-2-3-5-7(6)12(10)8(11)9;/h2-5,9H,10H2,1H3;1H/b9-8+;
InChIKeyKGPSWFSJYIQSRT-HRNDJLQDSA-N
MW290.11 g/mol
LogP0.79
Rot. Bonds

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

2-imino-3-methylbenzimidazol-1-amine;hydroiodide (PubChem CID 2849534) has the molecular formula C8H11IN4 and a molecular weight of 290.11 g/mol. Its IUPAC name is 2-imino-3-methylbenzimidazol-1-amine;hydroiodide.

Molecular Properties

Compound Name2-imino-3-methylbenzimidazol-1-amine;hydroiodide
PubChem CID2849534
Molecular FormulaC8H11IN4
Molecular Weight290.11 g/mol
Exact Mass290.00
IUPAC Name2-imino-3-methylbenzimidazol-1-amine;hydroiodide
SMILESI.[H]/N=c1\n(C)c2ccccc2n1N
InChIInChI=1S/C8H10N4.HI/c1-11-6-4-2-3-5-7(6)12(10)8(11)9;/h2-5,9H,10H2,1H3;1H/b9-8+;
InChIKeyKGPSWFSJYIQSRT-HRNDJLQDSA-N
XLogP0.79
TPSA59.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 50.79
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-methylbenzimidazol-1-amine;hydroiodide?
The IUPAC name of 2-imino-3-methylbenzimidazol-1-amine;hydroiodide (CID 2849534) is 2-imino-3-methylbenzimidazol-1-amine;hydroiodide.
What is the SMILES notation for 2-imino-3-methylbenzimidazol-1-amine;hydroiodide?
The canonical SMILES for 2-imino-3-methylbenzimidazol-1-amine;hydroiodide is I.[H]/N=c1\n(C)c2ccccc2n1N.
What is the InChIKey of 2-imino-3-methylbenzimidazol-1-amine;hydroiodide?
The InChIKey is KGPSWFSJYIQSRT-HRNDJLQDSA-N. The full InChI is InChI=1S/C8H10N4.HI/c1-11-6-4-2-3-5-7(6)12(10)8(11)9;/h2-5,9H,10H2,1H3;1H/b9-8+;.
What are the key properties of 2-imino-3-methylbenzimidazol-1-amine;hydroiodide?
2-imino-3-methylbenzimidazol-1-amine;hydroiodide has a molecular weight of 290.11 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-methylbenzimidazol-1-amine;hydroiodide is sourced from PubChem (CID 2849534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).