2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole

C15H10Cl2FIN2 — CID 66082431

IUPAC2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole
SMILESFc1cc(Cl)ccc1-n1c(CCCl)nc2cc(I)ccc21
InChIInChI=1S/C15H10Cl2FIN2/c16-6-5-15-20-12-8-10(19)2-4-14(12)21(15)13-3-1-9(17)7-11(13)18/h1-4,7-8H,5-6H2
InChIKeyBFTRYPOEBKXGMS-UHFFFAOYSA-N
MW435.07 g/mol
LogP5.20
Rot. Bonds3

About 2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole

2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole (PubChem CID 66082431) has the molecular formula C15H10Cl2FIN2 and a molecular weight of 435.07 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole
PubChem CID66082431
Molecular FormulaC15H10Cl2FIN2
Molecular Weight435.07 g/mol
Exact Mass433.92
IUPAC Name2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole
SMILESFc1cc(Cl)ccc1-n1c(CCCl)nc2cc(I)ccc21
InChIInChI=1S/C15H10Cl2FIN2/c16-6-5-15-20-12-8-10(19)2-4-14(12)21(15)13-3-1-9(17)7-11(13)18/h1-4,7-8H,5-6H2
InChIKeyBFTRYPOEBKXGMS-UHFFFAOYSA-N
XLogP5.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.07
LogP ≤ 55.20
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole (CID 66082431) is 2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole is Fc1cc(Cl)ccc1-n1c(CCCl)nc2cc(I)ccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole?
The InChIKey is BFTRYPOEBKXGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FIN2/c16-6-5-15-20-12-8-10(19)2-4-14(12)21(15)13-3-1-9(17)7-11(13)18/h1-4,7-8H,5-6H2.
What are the key properties of 2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole?
2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole has a molecular weight of 435.07 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole is sourced from PubChem (CID 66082431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).