2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole

C15H20FN3 — CID 63134021

IUPAC2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole
SMILESCCC1(c2nc3cc(F)ccc3n2C)CCCNC1
InChIInChI=1S/C15H20FN3/c1-3-15(7-4-8-17-10-15)14-18-12-9-11(16)5-6-13(12)19(14)2/h5-6,9,17H,3-4,7-8,10H2,1-2H3
InChIKeyKCZHBTQVVOPREL-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.74
Rot. Bonds2

About 2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole

2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole (PubChem CID 63134021) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole
PubChem CID63134021
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole
SMILESCCC1(c2nc3cc(F)ccc3n2C)CCCNC1
InChIInChI=1S/C15H20FN3/c1-3-15(7-4-8-17-10-15)14-18-12-9-11(16)5-6-13(12)19(14)2/h5-6,9,17H,3-4,7-8,10H2,1-2H3
InChIKeyKCZHBTQVVOPREL-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(3-ethylpiperidin-3-yl)-5-fluorobenzimidazole
CID 63133597
5-bromo-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 63144326
6-fluoro-1-methyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 55164403
1-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61290258
2-(4-ethylpiperidin-4-yl)-5-fluoro-1-propylbenzimidazole
CID 63125249
2-(3-ethylpiperidin-3-yl)-5-methyl-1-propan-2-ylbenzimidazole
CID 63133850
6-chloro-2-(3-ethylpyrrolidin-3-yl)-1-methylbenzimidazole
CID 113316532
1,5-dimethyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144192
5-fluoro-1-propan-2-yl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144666
[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436253
1-cyclopropyl-5-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144709
1-(1-ethyl-5-fluorobenzimidazol-2-yl)cyclopentan-1-amine
CID 61291958

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole?
The IUPAC name of 2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole (CID 63134021) is 2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole.
What is the SMILES notation for 2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole?
The canonical SMILES for 2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole is CCC1(c2nc3cc(F)ccc3n2C)CCCNC1.
What is the InChIKey of 2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole?
The InChIKey is KCZHBTQVVOPREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-15(7-4-8-17-10-15)14-18-12-9-11(16)5-6-13(12)19(14)2/h5-6,9,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole?
2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole has a molecular weight of 261.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidin-3-yl)-5-fluoro-1-methylbenzimidazole is sourced from PubChem (CID 63134021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).