2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile

C13H8IN3S — CID 113444304

IUPAC2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2csc(I)c2)nc2ccc(C#N)cc21
InChIInChI=1S/C13H8IN3S/c1-17-11-4-8(6-15)2-3-10(11)16-13(17)9-5-12(14)18-7-9/h2-5,7H,1H3
InChIKeyVINUPJRPRQAHLX-UHFFFAOYSA-N
MW365.20 g/mol
LogP3.78
Rot. Bonds1

About 2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile

2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile (PubChem CID 113444304) has the molecular formula C13H8IN3S and a molecular weight of 365.20 g/mol. Its IUPAC name is 2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile
PubChem CID113444304
Molecular FormulaC13H8IN3S
Molecular Weight365.20 g/mol
Exact Mass364.95
IUPAC Name2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2csc(I)c2)nc2ccc(C#N)cc21
InChIInChI=1S/C13H8IN3S/c1-17-11-4-8(6-15)2-3-10(11)16-13(17)9-5-12(14)18-7-9/h2-5,7H,1H3
InChIKeyVINUPJRPRQAHLX-UHFFFAOYSA-N
XLogP3.78
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
2-(5-bromo-3-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712509
2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104786693
3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile
CID 113444313
2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile
CID 113444314
2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile
CID 104712352
2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712321
1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile
CID 65035369
3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile
CID 104712271
2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712447
2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile
CID 104712778
2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712614

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile (CID 113444304) is 2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile is Cn1c(-c2csc(I)c2)nc2ccc(C#N)cc21.
What is the InChIKey of 2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile?
The InChIKey is VINUPJRPRQAHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8IN3S/c1-17-11-4-8(6-15)2-3-10(11)16-13(17)9-5-12(14)18-7-9/h2-5,7H,1H3.
What are the key properties of 2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile?
2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile has a molecular weight of 365.20 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 113444304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).