2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile

C15H10IN3 — CID 104720981

IUPAC2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile
SMILESCn1c(-c2ccc(I)cc2)nc2c(C#N)cccc21
InChIInChI=1S/C15H10IN3/c1-19-13-4-2-3-11(9-17)14(13)18-15(19)10-5-7-12(16)8-6-10/h2-8H,1H3
InChIKeyOMVUTRXNQNMWGI-UHFFFAOYSA-N
MW359.17 g/mol
LogP3.72
Rot. Bonds1

About 2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile

2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile (PubChem CID 104720981) has the molecular formula C15H10IN3 and a molecular weight of 359.17 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile
PubChem CID104720981
Molecular FormulaC15H10IN3
Molecular Weight359.17 g/mol
Exact Mass358.99
IUPAC Name2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile
SMILESCn1c(-c2ccc(I)cc2)nc2c(C#N)cccc21
InChIInChI=1S/C15H10IN3/c1-19-13-4-2-3-11(9-17)14(13)18-15(19)10-5-7-12(16)8-6-10/h2-8H,1H3
InChIKeyOMVUTRXNQNMWGI-UHFFFAOYSA-N
XLogP3.72
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720831
2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720958
2-(3-bromo-4-methylphenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720927
2-[3-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720712
2-(4-fluoro-3-methoxyphenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720761
1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile
CID 104720742
1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile
CID 112735729
1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile
CID 113445212
2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile
CID 113445205
1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile
CID 104720919
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064
2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720863

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile?
The IUPAC name of 2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile (CID 104720981) is 2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile?
The canonical SMILES for 2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile is Cn1c(-c2ccc(I)cc2)nc2c(C#N)cccc21.
What is the InChIKey of 2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile?
The InChIKey is OMVUTRXNQNMWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10IN3/c1-19-13-4-2-3-11(9-17)14(13)18-15(19)10-5-7-12(16)8-6-10/h2-8H,1H3.
What are the key properties of 2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile?
2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile has a molecular weight of 359.17 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile is sourced from PubChem (CID 104720981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).