2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole

C15H12ClIN2 — CID 43666841

IUPAC2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1-c1ccccc1I
InChIInChI=1S/C15H12ClIN2/c1-10(16)15-18-12-7-3-5-9-14(12)19(15)13-8-4-2-6-11(13)17/h2-10H,1H3
InChIKeyPQPCHHFPOJBDIM-UHFFFAOYSA-N
MW382.63 g/mol
LogP4.93
Rot. Bonds2

About 2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole

2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole (PubChem CID 43666841) has the molecular formula C15H12ClIN2 and a molecular weight of 382.63 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole
PubChem CID43666841
Molecular FormulaC15H12ClIN2
Molecular Weight382.63 g/mol
Exact Mass381.97
IUPAC Name2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1-c1ccccc1I
InChIInChI=1S/C15H12ClIN2/c1-10(16)15-18-12-7-3-5-9-14(12)19(15)13-8-4-2-6-11(13)17/h2-10H,1H3
InChIKeyPQPCHHFPOJBDIM-UHFFFAOYSA-N
XLogP4.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.63
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-1-(2-propan-2-ylphenyl)benzimidazole
CID 43667330
2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 61075050
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole
CID 66087496
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)benzimidazole
CID 81275735
2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole
CID 66081230
2-(1-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667104
2-(chloromethyl)-1-(2-iodophenyl)benzimidazole
CID 29075912
2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole
CID 43666718
2-[(1R)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93257413
2-propan-2-yl-1-(2-propan-2-ylphenyl)benzimidazole
CID 155173883
2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
CID 83079081
1-(3-bromo-2-methylphenyl)-2-(1-chloroethyl)-5-iodobenzimidazole
CID 107637661

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole (CID 43666841) is 2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole is CC(Cl)c1nc2ccccc2n1-c1ccccc1I.
What is the InChIKey of 2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole?
The InChIKey is PQPCHHFPOJBDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIN2/c1-10(16)15-18-12-7-3-5-9-14(12)19(15)13-8-4-2-6-11(13)17/h2-10H,1H3.
What are the key properties of 2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole?
2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole has a molecular weight of 382.63 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole is sourced from PubChem (CID 43666841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).