2-(chloromethyl)-1-(2-iodophenyl)benzimidazole

C14H10ClIN2 — CID 29075912

IUPAC2-(chloromethyl)-1-(2-iodophenyl)benzimidazole
SMILESClCc1nc2ccccc2n1-c1ccccc1I
InChIInChI=1S/C14H10ClIN2/c15-9-14-17-11-6-2-4-8-13(11)18(14)12-7-3-1-5-10(12)16/h1-8H,9H2
InChIKeyLCSZTHMGYSQDHC-UHFFFAOYSA-N
MW368.61 g/mol
LogP4.37
Rot. Bonds2

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

2-(chloromethyl)-1-(2-iodophenyl)benzimidazole (PubChem CID 29075912) has the molecular formula C14H10ClIN2 and a molecular weight of 368.61 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-iodophenyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-iodophenyl)benzimidazole
PubChem CID29075912
Molecular FormulaC14H10ClIN2
Molecular Weight368.61 g/mol
Exact Mass367.96
IUPAC Name2-(chloromethyl)-1-(2-iodophenyl)benzimidazole
SMILESClCc1nc2ccccc2n1-c1ccccc1I
InChIInChI=1S/C14H10ClIN2/c15-9-14-17-11-6-2-4-8-13(11)18(14)12-7-3-1-5-10(12)16/h1-8H,9H2
InChIKeyLCSZTHMGYSQDHC-UHFFFAOYSA-N
XLogP4.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.37
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-(chloromethyl)-1-phenylbenzimidazole;hydrochloride
CID 53407605
5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole
CID 43666840
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
CID 43666914
2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole
CID 43666841
1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole
CID 82766784
2-(chloromethyl)-1-(1-methylpyrazol-3-yl)benzimidazole
CID 79779737
2-(chloromethyl)-1-(3,4-dimethylphenyl)benzimidazole
CID 29075929
2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine
CID 114257731
1-(4-bromo-2,6-dimethylphenyl)-2-(chloromethyl)benzimidazole
CID 65498853
2-(chloromethyl)-1-(2-chloro-6-methylphenyl)benzimidazole
CID 66253533
2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole
CID 43666804
2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine
CID 96668272

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-iodophenyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2-iodophenyl)benzimidazole (CID 29075912) is 2-(chloromethyl)-1-(2-iodophenyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2-iodophenyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2-iodophenyl)benzimidazole is ClCc1nc2ccccc2n1-c1ccccc1I.
What is the InChIKey of 2-(chloromethyl)-1-(2-iodophenyl)benzimidazole?
The InChIKey is LCSZTHMGYSQDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClIN2/c15-9-14-17-11-6-2-4-8-13(11)18(14)12-7-3-1-5-10(12)16/h1-8H,9H2.
What are the key properties of 2-(chloromethyl)-1-(2-iodophenyl)benzimidazole?
2-(chloromethyl)-1-(2-iodophenyl)benzimidazole has a molecular weight of 368.61 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2-iodophenyl)benzimidazole is sourced from PubChem (CID 29075912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).