5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole

C14H9Cl2IN2 — CID 43659702

IUPAC5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole
SMILESClCc1nc2cc(Cl)ccc2n1-c1cccc(I)c1
InChIInChI=1S/C14H9Cl2IN2/c15-8-14-18-12-6-9(16)4-5-13(12)19(14)11-3-1-2-10(17)7-11/h1-7H,8H2
InChIKeyWTOQDUAHWXSOFR-UHFFFAOYSA-N
MW403.05 g/mol
LogP5.02
Rot. Bonds2

About 5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole

5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole (PubChem CID 43659702) has the molecular formula C14H9Cl2IN2 and a molecular weight of 403.05 g/mol. Its IUPAC name is 5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole
PubChem CID43659702
Molecular FormulaC14H9Cl2IN2
Molecular Weight403.05 g/mol
Exact Mass401.92
IUPAC Name5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole
SMILESClCc1nc2cc(Cl)ccc2n1-c1cccc(I)c1
InChIInChI=1S/C14H9Cl2IN2/c15-8-14-18-12-6-9(16)4-5-13(12)19(14)11-3-1-2-10(17)7-11/h1-7H,8H2
InChIKeyWTOQDUAHWXSOFR-UHFFFAOYSA-N
XLogP5.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.05
LogP ≤ 55.02
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)-5-fluoro-1-(3-iodophenyl)benzimidazole
CID 43660474
5-chloro-2-(chloromethyl)-1-(3-fluorophenyl)benzimidazole
CID 43659691
2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole
CID 103593303
2-(chloromethyl)-1-(3-chlorophenyl)-5-fluorobenzimidazole
CID 43660375
1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 43659727
1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole
CID 81274666
2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole
CID 66081223
6-chloro-2-(chloromethyl)-1-(3-methoxyphenyl)benzimidazole
CID 115470981
3-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylaniline
CID 115471786
2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole
CID 82801034
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222
7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole
CID 43666832

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole?
The IUPAC name of 5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole (CID 43659702) is 5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole?
The canonical SMILES for 5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole is ClCc1nc2cc(Cl)ccc2n1-c1cccc(I)c1.
What is the InChIKey of 5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole?
The InChIKey is WTOQDUAHWXSOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2IN2/c15-8-14-18-12-6-9(16)4-5-13(12)19(14)11-3-1-2-10(17)7-11/h1-7H,8H2.
What are the key properties of 5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole?
5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole has a molecular weight of 403.05 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole is sourced from PubChem (CID 43659702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).