2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide

C15H12IN3 — CID 146120911

IUPAC2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide
SMILESI.c1ccc2[nH]c(-c3c[nH]c4ccccc34)nc2c1
InChIInChI=1S/C15H11N3.HI/c1-2-6-12-10(5-1)11(9-16-12)15-17-13-7-3-4-8-14(13)18-15;/h1-9,16H,(H,17,18);1H
InChIKeyMEXBNLONYMFIRA-UHFFFAOYSA-N
MW361.19 g/mol
LogP4.33
Rot. Bonds1

About 2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide

2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide (PubChem CID 146120911) has the molecular formula C15H12IN3 and a molecular weight of 361.19 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide
PubChem CID146120911
Molecular FormulaC15H12IN3
Molecular Weight361.19 g/mol
Exact Mass361.01
IUPAC Name2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide
SMILESI.c1ccc2[nH]c(-c3c[nH]c4ccccc34)nc2c1
InChIInChI=1S/C15H11N3.HI/c1-2-6-12-10(5-1)11(9-16-12)15-17-13-7-3-4-8-14(13)18-15;/h1-9,16H,(H,17,18);1H
InChIKeyMEXBNLONYMFIRA-UHFFFAOYSA-N
XLogP4.33
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 54.33
H-Bond Donors ≤ 52
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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2-[5-(1H-indol-3-yl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
CID 2373893
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CID 20700346
CID 20700346
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bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
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2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
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2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
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2-dibenzothiophen-4-yl-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide?
The IUPAC name of 2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide (CID 146120911) is 2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide.
What is the SMILES notation for 2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide?
The canonical SMILES for 2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide is I.c1ccc2[nH]c(-c3c[nH]c4ccccc34)nc2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide?
The InChIKey is MEXBNLONYMFIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3.HI/c1-2-6-12-10(5-1)11(9-16-12)15-17-13-7-3-4-8-14(13)18-15;/h1-9,16H,(H,17,18);1H.
What are the key properties of 2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide?
2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide has a molecular weight of 361.19 g/mol, XLogP of 4.33, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide is sourced from PubChem (CID 146120911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).