2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole

C15H18FN3 — CID 102892594

IUPAC2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole
SMILESCn1c(C2NCC3CCCC32)nc2ccc(F)cc21
InChIInChI=1S/C15H18FN3/c1-19-13-7-10(16)5-6-12(13)18-15(19)14-11-4-2-3-9(11)8-17-14/h5-7,9,11,14,17H,2-4,8H2,1H3
InChIKeyAOWBILYAPJUENR-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.77
Rot. Bonds1

About 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole (PubChem CID 102892594) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole
PubChem CID102892594
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole
SMILESCn1c(C2NCC3CCCC32)nc2ccc(F)cc21
InChIInChI=1S/C15H18FN3/c1-19-13-7-10(16)5-6-12(13)18-15(19)14-11-4-2-3-9(11)8-17-14/h5-7,9,11,14,17H,2-4,8H2,1H3
InChIKeyAOWBILYAPJUENR-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-5-bromo-1-methylbenzimidazole
CID 102892556
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-chloro-1-propan-2-ylbenzimidazole
CID 102892652
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole
CID 102892511
3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894913
3-(6-fluoro-1-methylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 62376725
5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole
CID 83857852
1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole
CID 107070503
6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
CID 106742811
(2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid
CID 122059626
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 102894678
1,6-dimethyl-2-piperidin-2-ylbenzimidazole
CID 83857900
6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole
CID 84636801

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole?
The IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole (CID 102892594) is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole.
What is the SMILES notation for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole?
The canonical SMILES for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole is Cn1c(C2NCC3CCCC32)nc2ccc(F)cc21.
What is the InChIKey of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole?
The InChIKey is AOWBILYAPJUENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-19-13-7-10(16)5-6-12(13)18-15(19)14-11-4-2-3-9(11)8-17-14/h5-7,9,11,14,17H,2-4,8H2,1H3.
What are the key properties of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole?
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole has a molecular weight of 259.33 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole is sourced from PubChem (CID 102892594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).