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

C13H16FN3S — CID 112740709

IUPAC7-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine
SMILESCSC1CCCC1n1c(N)nc2cccc(F)c21
InChIInChI=1S/C13H16FN3S/c1-18-11-7-3-6-10(11)17-12-8(14)4-2-5-9(12)16-13(17)15/h2,4-5,10-11H,3,6-7H2,1H3,(H2,15,16)
InChIKeyDCJDPIZUNPSEJT-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.21
Rot. Bonds2

About 7-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine

7-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine (PubChem CID 112740709) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 7-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine
PubChem CID112740709
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name7-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine
SMILESCSC1CCCC1n1c(N)nc2cccc(F)c21
InChIInChI=1S/C13H16FN3S/c1-18-11-7-3-6-10(11)17-12-8(14)4-2-5-9(12)16-13(17)15/h2,4-5,10-11H,3,6-7H2,1H3,(H2,15,16)
InChIKeyDCJDPIZUNPSEJT-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-cyclobutyl-7-fluorobenzimidazol-2-amine
CID 84778426
5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine
CID 114121961
1-(2-ethylcyclohexyl)-7-methylbenzimidazol-2-amine
CID 115552337
7-chloro-1-cyclopentylbenzimidazol-2-amine
CID 43661582
1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine
CID 67447528
7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82728859
1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine
CID 115552524
7-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 83418423
7-methyl-1-(oxan-4-yl)benzimidazol-2-amine
CID 113333969
1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine
CID 115552593
7-chloro-1-[(4S)-1-methylazepan-4-yl]benzimidazol-2-amine
CID 156742611
3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one
CID 106258982

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine?
The IUPAC name of 7-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine (CID 112740709) is 7-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine.
What is the SMILES notation for 7-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine?
The canonical SMILES for 7-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine is CSC1CCCC1n1c(N)nc2cccc(F)c21.
What is the InChIKey of 7-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine?
The InChIKey is DCJDPIZUNPSEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-18-11-7-3-6-10(11)17-12-8(14)4-2-5-9(12)16-13(17)15/h2,4-5,10-11H,3,6-7H2,1H3,(H2,15,16).
What are the key properties of 7-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine?
7-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 7-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine is sourced from PubChem (CID 112740709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).