7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole

C15H10Cl3IN2 — CID 107637996

IUPAC7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole
SMILESCC(Cl)c1nc2cccc(Cl)c2n1-c1ccc(Cl)cc1I
InChIInChI=1S/C15H10Cl3IN2/c1-8(16)15-20-12-4-2-3-10(18)14(12)21(15)13-6-5-9(17)7-11(13)19/h2-8H,1H3
InChIKeyVAHCROOCLFELOK-UHFFFAOYSA-N
MW451.52 g/mol
LogP6.24
Rot. Bonds2

About 7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole

7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole (PubChem CID 107637996) has the molecular formula C15H10Cl3IN2 and a molecular weight of 451.52 g/mol. Its IUPAC name is 7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole
PubChem CID107637996
Molecular FormulaC15H10Cl3IN2
Molecular Weight451.52 g/mol
Exact Mass449.90
IUPAC Name7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole
SMILESCC(Cl)c1nc2cccc(Cl)c2n1-c1ccc(Cl)cc1I
InChIInChI=1S/C15H10Cl3IN2/c1-8(16)15-20-12-4-2-3-10(18)14(12)21(15)13-6-5-9(17)7-11(13)19/h2-8H,1H3
InChIKeyVAHCROOCLFELOK-UHFFFAOYSA-N
XLogP6.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.52
LogP ≤ 56.24
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

1-(2-bromo-5-chlorophenyl)-7-chloro-2-(1-chloroethyl)benzimidazole
CID 81279817
2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-7-methylbenzimidazole
CID 115552805
7-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 43666114
7-chloro-2-(1-chloroethyl)-1-(3,4-dimethylphenyl)benzimidazole
CID 43667046
7-chloro-2-(1-chloroethyl)-1-(1-methylpyrazol-3-yl)benzimidazole
CID 79778426
7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
CID 93303287
2-(1-chloroethyl)-1-(3,5-dichlorophenyl)-7-methylbenzimidazole
CID 115552926
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)benzimidazole
CID 81275735
2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole
CID 43666841
5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole
CID 43667284
7-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 43666432
7-chloro-2-(1-chloroethyl)-1-cycloheptylbenzimidazole
CID 43667424

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole?
The IUPAC name of 7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole (CID 107637996) is 7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole is CC(Cl)c1nc2cccc(Cl)c2n1-c1ccc(Cl)cc1I.
What is the InChIKey of 7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole?
The InChIKey is VAHCROOCLFELOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3IN2/c1-8(16)15-20-12-4-2-3-10(18)14(12)21(15)13-6-5-9(17)7-11(13)19/h2-8H,1H3.
What are the key properties of 7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole?
7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole has a molecular weight of 451.52 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(1-chloroethyl)-1-(4-chloro-2-iodophenyl)benzimidazole is sourced from PubChem (CID 107637996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).