1-(2-chlorophenyl)-2-iodobenzimidazole

C13H8ClIN2 — CID 135367836

IUPAC1-(2-chlorophenyl)-2-iodobenzimidazole
SMILESClc1ccccc1-n1c(I)nc2ccccc21
InChIInChI=1S/C13H8ClIN2/c14-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)16-13(17)15/h1-8H
InChIKeyITTUYMMEAMOWLW-UHFFFAOYSA-N
MW354.58 g/mol
LogP4.28
Rot. Bonds1

About 1-(2-chlorophenyl)-2-iodobenzimidazole

1-(2-chlorophenyl)-2-iodobenzimidazole (PubChem CID 135367836) has the molecular formula C13H8ClIN2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-iodobenzimidazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-iodobenzimidazole
PubChem CID135367836
Molecular FormulaC13H8ClIN2
Molecular Weight354.58 g/mol
Exact Mass353.94
IUPAC Name1-(2-chlorophenyl)-2-iodobenzimidazole
SMILESClc1ccccc1-n1c(I)nc2ccccc21
InChIInChI=1S/C13H8ClIN2/c14-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)16-13(17)15/h1-8H
InChIKeyITTUYMMEAMOWLW-UHFFFAOYSA-N
XLogP4.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-iodobenzimidazole?
The IUPAC name of 1-(2-chlorophenyl)-2-iodobenzimidazole (CID 135367836) is 1-(2-chlorophenyl)-2-iodobenzimidazole.
What is the SMILES notation for 1-(2-chlorophenyl)-2-iodobenzimidazole?
The canonical SMILES for 1-(2-chlorophenyl)-2-iodobenzimidazole is Clc1ccccc1-n1c(I)nc2ccccc21.
What is the InChIKey of 1-(2-chlorophenyl)-2-iodobenzimidazole?
The InChIKey is ITTUYMMEAMOWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClIN2/c14-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)16-13(17)15/h1-8H.
What are the key properties of 1-(2-chlorophenyl)-2-iodobenzimidazole?
1-(2-chlorophenyl)-2-iodobenzimidazole has a molecular weight of 354.58 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-iodobenzimidazole is sourced from PubChem (CID 135367836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).