7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole

C15H11Cl2IN2 — CID 43666832

IUPAC7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole
SMILESClCCc1nc2cccc(Cl)c2n1-c1cccc(I)c1
InChIInChI=1S/C15H11Cl2IN2/c16-8-7-14-19-13-6-2-5-12(17)15(13)20(14)11-4-1-3-10(18)9-11/h1-6,9H,7-8H2
InChIKeyBIHUZJBNRNSPSY-UHFFFAOYSA-N
MW417.08 g/mol
LogP5.06
Rot. Bonds3

About 7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole

7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole (PubChem CID 43666832) has the molecular formula C15H11Cl2IN2 and a molecular weight of 417.08 g/mol. Its IUPAC name is 7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole
PubChem CID43666832
Molecular FormulaC15H11Cl2IN2
Molecular Weight417.08 g/mol
Exact Mass415.93
IUPAC Name7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole
SMILESClCCc1nc2cccc(Cl)c2n1-c1cccc(I)c1
InChIInChI=1S/C15H11Cl2IN2/c16-8-7-14-19-13-6-2-5-12(17)15(13)20(14)11-4-1-3-10(18)9-11/h1-6,9H,7-8H2
InChIKeyBIHUZJBNRNSPSY-UHFFFAOYSA-N
XLogP5.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.08
LogP ≤ 55.06
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

7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole
CID 43666940
3-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]benzonitrile
CID 43667000
7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667107
7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole
CID 43667263
1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole
CID 43667179
2-(2-chloroethyl)-1-(3-ethylphenyl)-7-methylbenzimidazole
CID 115552870
1-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115553491
2-(2-chloroethyl)-1-(2,3-dichlorophenyl)-7-methylbenzimidazole
CID 115552896
5-chloro-2-(chloromethyl)-1-(3-iodophenyl)benzimidazole
CID 43659702
3-[2-(2-chloroethyl)-5-iodobenzimidazol-1-yl]benzonitrile
CID 66080040
2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine
CID 79294083
2-(2-chloroethyl)-1-(2,4-dichlorophenyl)-7-methylbenzimidazole
CID 115552924

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole?
The IUPAC name of 7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole (CID 43666832) is 7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole is ClCCc1nc2cccc(Cl)c2n1-c1cccc(I)c1.
What is the InChIKey of 7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole?
The InChIKey is BIHUZJBNRNSPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2IN2/c16-8-7-14-19-13-6-2-5-12(17)15(13)20(14)11-4-1-3-10(18)9-11/h1-6,9H,7-8H2.
What are the key properties of 7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole?
7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole has a molecular weight of 417.08 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-chloroethyl)-1-(3-iodophenyl)benzimidazole is sourced from PubChem (CID 43666832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).