1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine

C14H10F2IN3 — CID 103586598

IUPAC1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine
SMILESCc1cc(F)c(-n2c(N)nc3cc(I)ccc32)cc1F
InChIInChI=1S/C14H10F2IN3/c1-7-4-10(16)13(6-9(7)15)20-12-3-2-8(17)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyIXGVXIFKTUCNOM-UHFFFAOYSA-N
MW385.16 g/mol
LogP3.80
Rot. Bonds1

About 1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine

1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine (PubChem CID 103586598) has the molecular formula C14H10F2IN3 and a molecular weight of 385.16 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine
PubChem CID103586598
Molecular FormulaC14H10F2IN3
Molecular Weight385.16 g/mol
Exact Mass384.99
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine
SMILESCc1cc(F)c(-n2c(N)nc3cc(I)ccc32)cc1F
InChIInChI=1S/C14H10F2IN3/c1-7-4-10(16)13(6-9(7)15)20-12-3-2-8(17)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyIXGVXIFKTUCNOM-UHFFFAOYSA-N
XLogP3.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.16
LogP ≤ 53.80
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

5-iodo-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66082790
1-(2-fluoro-5-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081783
1-(5-chloro-2-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081186
1-(4-fluoro-2-iodophenyl)-5-iodobenzimidazol-2-amine
CID 79766676
5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine
CID 107593051
1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine
CID 66080790
5-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854236
1-(2,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592718
5-iodo-1-(4-iodophenyl)benzimidazol-2-amine
CID 66082572
1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine
CID 107607210
1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592709
5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine
CID 66082771

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine (CID 103586598) is 1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine is Cc1cc(F)c(-n2c(N)nc3cc(I)ccc32)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine?
The InChIKey is IXGVXIFKTUCNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2IN3/c1-7-4-10(16)13(6-9(7)15)20-12-3-2-8(17)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19).
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine?
1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine has a molecular weight of 385.16 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 103586598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).