2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole

C15H20FN3 — CID 114427713

IUPAC2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole
SMILESCCC1CCNC(c2nc3c(F)cccc3n2C)C1
InChIInChI=1S/C15H20FN3/c1-3-10-7-8-17-12(9-10)15-18-14-11(16)5-4-6-13(14)19(15)2/h4-6,10,12,17H,3,7-9H2,1-2H3
InChIKeyMSKRGCXBNFWEGI-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.16
Rot. Bonds2

About 2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole

2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole (PubChem CID 114427713) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole
PubChem CID114427713
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole
SMILESCCC1CCNC(c2nc3c(F)cccc3n2C)C1
InChIInChI=1S/C15H20FN3/c1-3-10-7-8-17-12(9-10)15-18-14-11(16)5-4-6-13(14)19(15)2/h4-6,10,12,17H,3,7-9H2,1-2H3
InChIKeyMSKRGCXBNFWEGI-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole
CID 114422463
2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole
CID 114427691
4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole
CID 60784787
4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
CID 106742794
(2S)-4-ethyl-2-phenylpiperidine
CID 170718389
5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 114429886
4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole
CID 63870568
1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine
CID 61470261
1-methyl-2-(4-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 114113135
ethane;2-ethyl-4-fluoro-1-methylbenzimidazole
CID 176704050
2-(4-fluoro-1-methylbenzimidazol-2-yl)-4-methylcyclopentane-1-carboxylic acid
CID 114391714
cyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62697258

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole?
The IUPAC name of 2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole (CID 114427713) is 2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole.
What is the SMILES notation for 2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole?
The canonical SMILES for 2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole is CCC1CCNC(c2nc3c(F)cccc3n2C)C1.
What is the InChIKey of 2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole?
The InChIKey is MSKRGCXBNFWEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-10-7-8-17-12(9-10)15-18-14-11(16)5-4-6-13(14)19(15)2/h4-6,10,12,17H,3,7-9H2,1-2H3.
What are the key properties of 2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole?
2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole has a molecular weight of 261.34 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole is sourced from PubChem (CID 114427713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).