1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole

C15H20FN3 — CID 114422463

IUPAC1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole
SMILESCCn1c(C2CC(C)CCN2)nc2c(F)cccc21
InChIInChI=1S/C15H20FN3/c1-3-19-13-6-4-5-11(16)14(13)18-15(19)12-9-10(2)7-8-17-12/h4-6,10,12,17H,3,7-9H2,1-2H3
InChIKeyHCLXIRUXYUIHLT-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.26
Rot. Bonds2

About 1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole

1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole (PubChem CID 114422463) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole
PubChem CID114422463
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole
SMILESCCn1c(C2CC(C)CCN2)nc2c(F)cccc21
InChIInChI=1S/C15H20FN3/c1-3-19-13-6-4-5-11(16)14(13)18-15(19)12-9-10(2)7-8-17-12/h4-6,10,12,17H,3,7-9H2,1-2H3
InChIKeyHCLXIRUXYUIHLT-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylpiperidin-2-yl)-4-fluoro-1-methylbenzimidazole
CID 114427713
4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole
CID 60784787
4-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
CID 106742794
2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole
CID 114422438
6-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclohex-3-ene-1-carboxylic acid
CID 60783351
2-(1-chloroethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414370
1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62690625
2-(chloromethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414406
1-methyl-2-(4-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 114113135
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79846796
1-ethyl-4-fluorobenzimidazole-2-carboxylic acid
CID 124927269
2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol
CID 136789662

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole?
The IUPAC name of 1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole (CID 114422463) is 1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole.
What is the SMILES notation for 1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole?
The canonical SMILES for 1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole is CCn1c(C2CC(C)CCN2)nc2c(F)cccc21.
What is the InChIKey of 1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole?
The InChIKey is HCLXIRUXYUIHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-19-13-6-4-5-11(16)14(13)18-15(19)12-9-10(2)7-8-17-12/h4-6,10,12,17H,3,7-9H2,1-2H3.
What are the key properties of 1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole?
1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole has a molecular weight of 261.34 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoro-2-(4-methylpiperidin-2-yl)benzimidazole is sourced from PubChem (CID 114422463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).