5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine

C13H16FN3S — CID 114121961

IUPAC5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine
SMILESCSC1CCCC1n1c(N)nc2cc(F)ccc21
InChIInChI=1S/C13H16FN3S/c1-18-12-4-2-3-11(12)17-10-6-5-8(14)7-9(10)16-13(17)15/h5-7,11-12H,2-4H2,1H3,(H2,15,16)
InChIKeySCOMXCCVXTVSRG-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.21
Rot. Bonds2

About 5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine

5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine (PubChem CID 114121961) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine
PubChem CID114121961
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine
SMILESCSC1CCCC1n1c(N)nc2cc(F)ccc21
InChIInChI=1S/C13H16FN3S/c1-18-12-4-2-3-11(12)17-10-6-5-8(14)7-9(10)16-13(17)15/h5-7,11-12H,2-4H2,1H3,(H2,15,16)
InChIKeySCOMXCCVXTVSRG-UHFFFAOYSA-N
XLogP3.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine
CID 43661615
7-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine
CID 112740709
5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82729284
1-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzimidazol-2-amine
CID 83017852
5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine
CID 170911669
5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine
CID 63546950
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
5-chloro-1-(2-methoxycyclopentyl)benzimidazol-2-amine
CID 62086492
1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine
CID 62086320
5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66078877
1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine
CID 43662075
5-fluoro-1-(3-methylsulfanylbutyl)benzimidazol-2-amine
CID 113494111

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine (CID 114121961) is 5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine is CSC1CCCC1n1c(N)nc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine?
The InChIKey is SCOMXCCVXTVSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-18-12-4-2-3-11(12)17-10-6-5-8(14)7-9(10)16-13(17)15/h5-7,11-12H,2-4H2,1H3,(H2,15,16).
What are the key properties of 5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine?
5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine has a molecular weight of 265.36 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine is sourced from PubChem (CID 114121961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).