4-chloro-2-(4-iodophenyl)-1H-benzimidazole

C13H8ClIN2 — CID 28690808

IUPAC4-chloro-2-(4-iodophenyl)-1H-benzimidazole
SMILESClc1cccc2[nH]c(-c3ccc(I)cc3)nc12
InChIInChI=1S/C13H8ClIN2/c14-10-2-1-3-11-12(10)17-13(16-11)8-4-6-9(15)7-5-8/h1-7H,(H,16,17)
InChIKeyKQANSNAMPFISTJ-UHFFFAOYSA-N
MW354.58 g/mol
LogP4.49
Rot. Bonds1

About 4-chloro-2-(4-iodophenyl)-1H-benzimidazole

4-chloro-2-(4-iodophenyl)-1H-benzimidazole (PubChem CID 28690808) has the molecular formula C13H8ClIN2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 4-chloro-2-(4-iodophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(4-iodophenyl)-1H-benzimidazole
PubChem CID28690808
Molecular FormulaC13H8ClIN2
Molecular Weight354.58 g/mol
Exact Mass353.94
IUPAC Name4-chloro-2-(4-iodophenyl)-1H-benzimidazole
SMILESClc1cccc2[nH]c(-c3ccc(I)cc3)nc12
InChIInChI=1S/C13H8ClIN2/c14-10-2-1-3-11-12(10)17-13(16-11)8-4-6-9(15)7-5-8/h1-7H,(H,16,17)
InChIKeyKQANSNAMPFISTJ-UHFFFAOYSA-N
XLogP4.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-iodophenyl)-1H-benzimidazole?
The IUPAC name of 4-chloro-2-(4-iodophenyl)-1H-benzimidazole (CID 28690808) is 4-chloro-2-(4-iodophenyl)-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-(4-iodophenyl)-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-(4-iodophenyl)-1H-benzimidazole is Clc1cccc2[nH]c(-c3ccc(I)cc3)nc12.
What is the InChIKey of 4-chloro-2-(4-iodophenyl)-1H-benzimidazole?
The InChIKey is KQANSNAMPFISTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClIN2/c14-10-2-1-3-11-12(10)17-13(16-11)8-4-6-9(15)7-5-8/h1-7H,(H,16,17).
What are the key properties of 4-chloro-2-(4-iodophenyl)-1H-benzimidazole?
4-chloro-2-(4-iodophenyl)-1H-benzimidazole has a molecular weight of 354.58 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-iodophenyl)-1H-benzimidazole is sourced from PubChem (CID 28690808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).