1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole

C15H20FN3 — CID 62689623

IUPAC1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
SMILESCCn1c(CC2CCCNC2)nc2ccc(F)cc21
InChIInChI=1S/C15H20FN3/c1-2-19-14-9-12(16)5-6-13(14)18-15(19)8-11-4-3-7-17-10-11/h5-6,9,11,17H,2-4,7-8,10H2,1H3
InChIKeyNTKVLFVBLIQLDX-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.74
Rot. Bonds3

About 1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole

1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole (PubChem CID 62689623) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
PubChem CID62689623
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
SMILESCCn1c(CC2CCCNC2)nc2ccc(F)cc21
InChIInChI=1S/C15H20FN3/c1-2-19-14-9-12(16)5-6-13(14)18-15(19)8-11-4-3-7-17-10-11/h5-6,9,11,17H,2-4,7-8,10H2,1H3
InChIKeyNTKVLFVBLIQLDX-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole
CID 62689624
2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole
CID 64611043
1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62690625
N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
CID 55068076
6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84796143
2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-ethyl-5-fluorobenzimidazole
CID 79612176
1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689788
6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole
CID 84632394
6-fluoro-2-(piperidin-3-ylmethyl)-1,3-benzoxazole
CID 55232173
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536
1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672416
1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689106

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole?
The IUPAC name of 1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole (CID 62689623) is 1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole?
The canonical SMILES for 1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole is CCn1c(CC2CCCNC2)nc2ccc(F)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole?
The InChIKey is NTKVLFVBLIQLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-2-19-14-9-12(16)5-6-13(14)18-15(19)8-11-4-3-7-17-10-11/h5-6,9,11,17H,2-4,7-8,10H2,1H3.
What are the key properties of 1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole?
1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole has a molecular weight of 261.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 62689623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).