1H-benzimidazole;propane;hydroiodide

C10H15IN2 — CID 172791937

IUPAC1H-benzimidazole;propane;hydroiodide
SMILESCCC.I.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C3H8.HI/c1-2-4-7-6(3-1)8-5-9-7;1-3-2;/h1-5H,(H,8,9);3H2,1-2H3;1H
InChIKeyVCSGISRFQZXBHW-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.60
Rot. Bonds

About 1H-benzimidazole;propane;hydroiodide

1H-benzimidazole;propane;hydroiodide (PubChem CID 172791937) has the molecular formula C10H15IN2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 1H-benzimidazole;propane;hydroiodide.

Molecular Properties

Compound Name1H-benzimidazole;propane;hydroiodide
PubChem CID172791937
Molecular FormulaC10H15IN2
Molecular Weight290.15 g/mol
Exact Mass290.03
IUPAC Name1H-benzimidazole;propane;hydroiodide
SMILESCCC.I.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C3H8.HI/c1-2-4-7-6(3-1)8-5-9-7;1-3-2;/h1-5H,(H,8,9);3H2,1-2H3;1H
InChIKeyVCSGISRFQZXBHW-UHFFFAOYSA-N
XLogP3.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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bis(1H-benzimidazole);hydrate
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1H-benzimidazole;manganese
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1H-benzimidazole;zinc
CID 162235320
1H-benzimidazole;ethane;molecular hydrogen
CID 142113314
acetylene;bis(1H-benzimidazole)
CID 143659644
calcium;1H-benzimidazole;hydride
CID 174891856
1H-benzimidazole;cyclopropene
CID 175111337
bis(1H-benzimidazole);dichlorocopper
CID 11984972
1H-benzimidazole;N,N-diphenylaniline
CID 174937670
1H-benzimidazole;propane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;propane;hydroiodide?
The IUPAC name of 1H-benzimidazole;propane;hydroiodide (CID 172791937) is 1H-benzimidazole;propane;hydroiodide.
What is the SMILES notation for 1H-benzimidazole;propane;hydroiodide?
The canonical SMILES for 1H-benzimidazole;propane;hydroiodide is CCC.I.c1ccc2[nH]cnc2c1.
What is the InChIKey of 1H-benzimidazole;propane;hydroiodide?
The InChIKey is VCSGISRFQZXBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C3H8.HI/c1-2-4-7-6(3-1)8-5-9-7;1-3-2;/h1-5H,(H,8,9);3H2,1-2H3;1H.
What are the key properties of 1H-benzimidazole;propane;hydroiodide?
1H-benzimidazole;propane;hydroiodide has a molecular weight of 290.15 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;propane;hydroiodide is sourced from PubChem (CID 172791937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).