5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine

C13H16FN3S — CID 103593149

IUPAC5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2C1CCCSC1
InChIInChI=1S/C13H16FN3S/c1-8-5-12-11(6-10(8)14)16-13(15)17(12)9-3-2-4-18-7-9/h5-6,9H,2-4,7H2,1H3,(H2,15,16)
InChIKeyARLVENJUJDBLBC-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.13
Rot. Bonds1

About 5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine

5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine (PubChem CID 103593149) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine
PubChem CID103593149
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2C1CCCSC1
InChIInChI=1S/C13H16FN3S/c1-8-5-12-11(6-10(8)14)16-13(15)17(12)9-3-2-4-18-7-9/h5-6,9H,2-4,7H2,1H3,(H2,15,16)
InChIKeyARLVENJUJDBLBC-UHFFFAOYSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593055
2-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)cyclohexan-1-ol
CID 103592912
1-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592630
2-(chloromethyl)-1-cyclobutyl-5-fluoro-6-methylbenzimidazole
CID 103593655
5-bromo-1-cyclooctyl-6-fluorobenzimidazol-2-amine
CID 66086490
1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592692
1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592691
5-fluoro-6-methyl-1-[(2-methylcyclohexyl)methyl]benzimidazol-2-amine
CID 103592850
6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine
CID 66101576
2-(1-chloroethyl)-5,6-dimethyl-1-(thiolan-3-yl)benzimidazole
CID 114281467
1-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592949
2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol
CID 63598582

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine (CID 103593149) is 5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine is Cc1cc2c(cc1F)nc(N)n2C1CCCSC1.
What is the InChIKey of 5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine?
The InChIKey is ARLVENJUJDBLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-8-5-12-11(6-10(8)14)16-13(15)17(12)9-3-2-4-18-7-9/h5-6,9H,2-4,7H2,1H3,(H2,15,16).
What are the key properties of 5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine?
5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine has a molecular weight of 265.36 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-1-(thian-3-yl)benzimidazol-2-amine is sourced from PubChem (CID 103593149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).