2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole

C15H20FN3 — CID 124741801

IUPAC2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole
SMILESCC[C@H]1CCCN(c2nc3cccc(F)c3n2C)C1
InChIInChI=1S/C15H20FN3/c1-3-11-6-5-9-19(10-11)15-17-13-8-4-7-12(16)14(13)18(15)2/h4,7-8,11H,3,5-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyWXBMKLNFNPJVAS-NSHDSACASA-N
MW261.34 g/mol
LogP3.34
Rot. Bonds2

About 2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole

2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole (PubChem CID 124741801) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole
PubChem CID124741801
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole
SMILESCC[C@H]1CCCN(c2nc3cccc(F)c3n2C)C1
InChIInChI=1S/C15H20FN3/c1-3-11-6-5-9-19(10-11)15-17-13-8-4-7-12(16)14(13)18(15)2/h4,7-8,11H,3,5-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyWXBMKLNFNPJVAS-NSHDSACASA-N
XLogP3.34
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole?
The IUPAC name of 2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole (CID 124741801) is 2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole.
What is the SMILES notation for 2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole?
The canonical SMILES for 2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole is CC[C@H]1CCCN(c2nc3cccc(F)c3n2C)C1.
What is the InChIKey of 2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole?
The InChIKey is WXBMKLNFNPJVAS-NSHDSACASA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-11-6-5-9-19(10-11)15-17-13-8-4-7-12(16)14(13)18(15)2/h4,7-8,11H,3,5-6,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole?
2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole has a molecular weight of 261.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole is sourced from PubChem (CID 124741801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).