1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine

C15H14IN3 — CID 66080790

IUPAC1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine
SMILESCc1cc(C)cc(-n2c(N)nc3cc(I)ccc32)c1
InChIInChI=1S/C15H14IN3/c1-9-5-10(2)7-12(6-9)19-14-4-3-11(16)8-13(14)18-15(19)17/h3-8H,1-2H3,(H2,17,18)
InChIKeyAUUKCXDQSRZBMD-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.83
Rot. Bonds1

About 1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine

1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine (PubChem CID 66080790) has the molecular formula C15H14IN3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine
PubChem CID66080790
Molecular FormulaC15H14IN3
Molecular Weight363.20 g/mol
Exact Mass363.02
IUPAC Name1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine
SMILESCc1cc(C)cc(-n2c(N)nc3cc(I)ccc32)c1
InChIInChI=1S/C15H14IN3/c1-9-5-10(2)7-12(6-9)19-14-4-3-11(16)8-13(14)18-15(19)17/h3-8H,1-2H3,(H2,17,18)
InChIKeyAUUKCXDQSRZBMD-UHFFFAOYSA-N
XLogP3.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.83
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-(4-iodophenyl)benzimidazol-2-amine
CID 66082572
5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine
CID 43659458
1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine
CID 107575900
5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 66081189
1-(2-fluoro-5-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081783
5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine
CID 66082771
1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592692
1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine
CID 103586598
1-(5-chloro-2-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081186
1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine
CID 66080003
2-amino-3-(3,5-dimethylphenyl)benzimidazol-5-ol
CID 102225118
5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine
CID 66076552

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine (CID 66080790) is 1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine is Cc1cc(C)cc(-n2c(N)nc3cc(I)ccc32)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine?
The InChIKey is AUUKCXDQSRZBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3/c1-9-5-10(2)7-12(6-9)19-14-4-3-11(16)8-13(14)18-15(19)17/h3-8H,1-2H3,(H2,17,18).
What are the key properties of 1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine?
1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine has a molecular weight of 363.20 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 66080790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).