5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine

C13H8Cl2IN3 — CID 107637334

IUPAC5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1-c1ccc(Cl)cc1I
InChIInChI=1S/C13H8Cl2IN3/c14-7-1-3-11(9(16)5-7)19-12-4-2-8(15)6-10(12)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyCUIGFFBVJWBVME-UHFFFAOYSA-N
MW404.04 g/mol
LogP4.52
Rot. Bonds1

About 5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine

5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine (PubChem CID 107637334) has the molecular formula C13H8Cl2IN3 and a molecular weight of 404.04 g/mol. Its IUPAC name is 5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine
PubChem CID107637334
Molecular FormulaC13H8Cl2IN3
Molecular Weight404.04 g/mol
Exact Mass402.91
IUPAC Name5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1-c1ccc(Cl)cc1I
InChIInChI=1S/C13H8Cl2IN3/c14-7-1-3-11(9(16)5-7)19-12-4-2-8(15)6-10(12)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyCUIGFFBVJWBVME-UHFFFAOYSA-N
XLogP4.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.04
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine
CID 107637336
5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43659570
1-(2,4-dichlorophenyl)-5-methylbenzimidazol-2-amine
CID 43661916
5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine
CID 43659478
1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine
CID 43659474
1-(5-chloro-2-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081186
1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107637379
5-chloro-1-naphthalen-1-ylbenzimidazol-2-amine
CID 43659401
1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine
CID 79766676
1-(4-chloro-2-fluorophenyl)-5-methylbenzimidazol-2-amine
CID 61472339
1-(2-bromo-5-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 82766158
5-chloro-1-(2-methoxyphenyl)benzimidazol-2-amine
CID 43659394

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine (CID 107637334) is 5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine is Nc1nc2cc(Cl)ccc2n1-c1ccc(Cl)cc1I.
What is the InChIKey of 5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine?
The InChIKey is CUIGFFBVJWBVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2IN3/c14-7-1-3-11(9(16)5-7)19-12-4-2-8(15)6-10(12)18-13(19)17/h1-6H,(H2,17,18).
What are the key properties of 5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine?
5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine has a molecular weight of 404.04 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine is sourced from PubChem (CID 107637334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).