2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole

C15H11Cl2IN2 — CID 66081230

IUPAC2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole
SMILESCC(Cl)c1nc2cc(I)ccc2n1-c1ccccc1Cl
InChIInChI=1S/C15H11Cl2IN2/c1-9(16)15-19-12-8-10(18)6-7-14(12)20(15)13-5-3-2-4-11(13)17/h2-9H,1H3
InChIKeyBSBUUDYEBLWJNY-UHFFFAOYSA-N
MW417.08 g/mol
LogP5.58
Rot. Bonds2

About 2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole

2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole (PubChem CID 66081230) has the molecular formula C15H11Cl2IN2 and a molecular weight of 417.08 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole
PubChem CID66081230
Molecular FormulaC15H11Cl2IN2
Molecular Weight417.08 g/mol
Exact Mass415.93
IUPAC Name2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole
SMILESCC(Cl)c1nc2cc(I)ccc2n1-c1ccccc1Cl
InChIInChI=1S/C15H11Cl2IN2/c1-9(16)15-19-12-8-10(18)6-7-14(12)20(15)13-5-3-2-4-11(13)17/h2-9H,1H3
InChIKeyBSBUUDYEBLWJNY-UHFFFAOYSA-N
XLogP5.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.08
LogP ≤ 55.58
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-chloro-4-iodophenyl)-5-methylbenzimidazole
CID 107607281
1-(3-bromo-2-methylphenyl)-2-(1-chloroethyl)-5-iodobenzimidazole
CID 107637661
1-(4-bromophenyl)-2-(1-chloroethyl)-5-iodobenzimidazole
CID 66082217
4-chloro-2-(1-chloroethyl)-1-(2-chlorophenyl)benzimidazole
CID 104837537
2-(1-chloroethyl)-1-(3-fluorophenyl)-5-iodobenzimidazole
CID 66081816
5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole
CID 43667186
1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667170
2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole
CID 43666841
5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole
CID 43667284
1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol
CID 62596168
2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43666807
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole
CID 66087496

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole (CID 66081230) is 2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole is CC(Cl)c1nc2cc(I)ccc2n1-c1ccccc1Cl.
What is the InChIKey of 2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole?
The InChIKey is BSBUUDYEBLWJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2IN2/c1-9(16)15-19-12-8-10(18)6-7-14(12)20(15)13-5-3-2-4-11(13)17/h2-9H,1H3.
What are the key properties of 2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole?
2-(1-chloroethyl)-1-(2-chlorophenyl)-5-iodobenzimidazole has a molecular weight of 417.08 g/mol, XLogP of 5.58, 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-chlorophenyl)-5-iodobenzimidazole is sourced from PubChem (CID 66081230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).