1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole

C17H24FN3 — CID 52879080

IUPAC1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole
SMILESCC[C@H]1CCCCN1Cc1nc2cc(F)ccc2n1CC
InChIInChI=1S/C17H24FN3/c1-3-14-7-5-6-10-20(14)12-17-19-15-11-13(18)8-9-16(15)21(17)4-2/h8-9,11,14H,3-7,10,12H2,1-2H3/t14-/m0/s1
InChIKeyUBIVJYASTZKXLJ-AWEZNQCLSA-N
MW289.40 g/mol
LogP3.96
Rot. Bonds4

About 1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole

1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole (PubChem CID 52879080) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole
PubChem CID52879080
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole
SMILESCC[C@H]1CCCCN1Cc1nc2cc(F)ccc2n1CC
InChIInChI=1S/C17H24FN3/c1-3-14-7-5-6-10-20(14)12-17-19-15-11-13(18)8-9-16(15)21(17)4-2/h8-9,11,14H,3-7,10,12H2,1-2H3/t14-/m0/s1
InChIKeyUBIVJYASTZKXLJ-AWEZNQCLSA-N
XLogP3.96
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol
CID 111106832
1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole
CID 52521339
3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
CID 71933837
2-(chloromethyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluorobenzimidazole
CID 43660148
1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid
CID 167828749
2-[(2-benzylpiperidin-1-yl)methyl]-1-ethylbenzimidazole-5-carboxylic acid
CID 154796933
(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
2-(1,4-diazepan-1-ylmethyl)-1-ethyl-5-fluorobenzimidazole;dihydrochloride
CID 119907069
1-ethyl-N,N-dimethyl-2-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]benzimidazole-5-sulfonamide
CID 56574630
1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
CID 95781192
1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole
CID 95781193
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole?
The IUPAC name of 1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole (CID 52879080) is 1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole.
What is the SMILES notation for 1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole?
The canonical SMILES for 1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole is CC[C@H]1CCCCN1Cc1nc2cc(F)ccc2n1CC.
What is the InChIKey of 1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole?
The InChIKey is UBIVJYASTZKXLJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24FN3/c1-3-14-7-5-6-10-20(14)12-17-19-15-11-13(18)8-9-16(15)21(17)4-2/h8-9,11,14H,3-7,10,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole?
1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole has a molecular weight of 289.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole is sourced from PubChem (CID 52879080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).