1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine

C13H7ClF2IN3 — CID 107637379

IUPAC1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1-c1ccc(Cl)cc1I
InChIInChI=1S/C13H7ClF2IN3/c14-6-1-2-10(9(17)3-6)20-11-5-7(15)4-8(16)12(11)19-13(20)18/h1-5H,(H2,18,19)
InChIKeyYXNUBWMHQCVQJX-UHFFFAOYSA-N
MW405.57 g/mol
LogP4.14
Rot. Bonds1

About 1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine

1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine (PubChem CID 107637379) has the molecular formula C13H7ClF2IN3 and a molecular weight of 405.57 g/mol. Its IUPAC name is 1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine
PubChem CID107637379
Molecular FormulaC13H7ClF2IN3
Molecular Weight405.57 g/mol
Exact Mass404.93
IUPAC Name1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1-c1ccc(Cl)cc1I
InChIInChI=1S/C13H7ClF2IN3/c14-6-1-2-10(9(17)3-6)20-11-5-7(15)4-8(16)12(11)19-13(20)18/h1-5H,(H2,18,19)
InChIKeyYXNUBWMHQCVQJX-UHFFFAOYSA-N
XLogP4.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 54.14
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-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508622
1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine
CID 107637336
1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508632
5-chloro-1-(4-chloro-2-iodophenyl)benzimidazol-2-amine
CID 107637334
1-(3,5-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508643
1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508680
4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
CID 115508935
1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107613935
5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine
CID 79766831
1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508690
1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine
CID 107637356
4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile
CID 107791691

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine?
The IUPAC name of 1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine (CID 107637379) is 1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine is Nc1nc2c(F)cc(F)cc2n1-c1ccc(Cl)cc1I.
What is the InChIKey of 1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine?
The InChIKey is YXNUBWMHQCVQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2IN3/c14-6-1-2-10(9(17)3-6)20-11-5-7(15)4-8(16)12(11)19-13(20)18/h1-5H,(H2,18,19).
What are the key properties of 1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine?
1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine has a molecular weight of 405.57 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine is sourced from PubChem (CID 107637379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).