5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine

C14H12IN3O2S — CID 66082771

IUPAC5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine
SMILESCS(=O)(=O)c1ccc(-n2c(N)nc3cc(I)ccc32)cc1
InChIInChI=1S/C14H12IN3O2S/c1-21(19,20)11-5-3-10(4-6-11)18-13-7-2-9(15)8-12(13)17-14(18)16/h2-8H,1H3,(H2,16,17)
InChIKeyIAMPZYDCWOHWKQ-UHFFFAOYSA-N
MW413.24 g/mol
LogP2.62
Rot. Bonds2

About 5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine

5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine (PubChem CID 66082771) has the molecular formula C14H12IN3O2S and a molecular weight of 413.24 g/mol. Its IUPAC name is 5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine
PubChem CID66082771
Molecular FormulaC14H12IN3O2S
Molecular Weight413.24 g/mol
Exact Mass412.97
IUPAC Name5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine
SMILESCS(=O)(=O)c1ccc(-n2c(N)nc3cc(I)ccc32)cc1
InChIInChI=1S/C14H12IN3O2S/c1-21(19,20)11-5-3-10(4-6-11)18-13-7-2-9(15)8-12(13)17-14(18)16/h2-8H,1H3,(H2,16,17)
InChIKeyIAMPZYDCWOHWKQ-UHFFFAOYSA-N
XLogP2.62
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 66081189
1-(2,5-difluoro-4-methylphenyl)-5-iodobenzimidazol-2-amine
CID 103586598
1-(2,3-dihydro-1H-inden-5-yl)-5-iodobenzimidazol-2-amine
CID 66080003
1-(3,5-dichloro-4-fluorophenyl)-5-iodobenzimidazol-2-amine
CID 107575900
5-iodo-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66082790
6-bromo-3-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79280401
4-chloro-1-(4-methylsulfonylphenyl)benzimidazol-2-amine
CID 104836835
5-(2-amino-5-iodobenzimidazol-1-yl)-2-fluorobenzonitrile
CID 66081402
5-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 43661850
1-(5-chloro-2-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081186
1-(2-fluoro-5-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081783

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine?
The IUPAC name of 5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine (CID 66082771) is 5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine?
The canonical SMILES for 5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine is CS(=O)(=O)c1ccc(-n2c(N)nc3cc(I)ccc32)cc1.
What is the InChIKey of 5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine?
The InChIKey is IAMPZYDCWOHWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN3O2S/c1-21(19,20)11-5-3-10(4-6-11)18-13-7-2-9(15)8-12(13)17-14(18)16/h2-8H,1H3,(H2,16,17).
What are the key properties of 5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine?
5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine has a molecular weight of 413.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-(4-methylsulfonylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 66082771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).