1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol

C17H24FN3O — CID 111106832

IUPAC1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol
SMILESCCn1c(CN2CCCCC2C(C)O)nc2cc(F)ccc21
InChIInChI=1S/C17H24FN3O/c1-3-21-16-8-7-13(18)10-14(16)19-17(21)11-20-9-5-4-6-15(20)12(2)22/h7-8,10,12,15,22H,3-6,9,11H2,1-2H3
InChIKeyLSMXKIVCQZPCGT-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.93
Rot. Bonds4

About 1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol

1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol (PubChem CID 111106832) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol
PubChem CID111106832
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol
SMILESCCn1c(CN2CCCCC2C(C)O)nc2cc(F)ccc21
InChIInChI=1S/C17H24FN3O/c1-3-21-16-8-7-13(18)10-14(16)19-17(21)11-20-9-5-4-6-15(20)12(2)22/h7-8,10,12,15,22H,3-6,9,11H2,1-2H3
InChIKeyLSMXKIVCQZPCGT-UHFFFAOYSA-N
XLogP2.93
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole
CID 52879080
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
1-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 111106746
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205
(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
2-(chloromethyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluorobenzimidazole
CID 43660148
2-(1,4-diazepan-1-ylmethyl)-1-ethyl-5-fluorobenzimidazole;dihydrochloride
CID 119907069
1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid
CID 167828749
4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 71967888
1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole
CID 75426367
2-[(2-benzylpiperidin-1-yl)methyl]-1-ethylbenzimidazole-5-carboxylic acid
CID 154796933

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol (CID 111106832) is 1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol is CCn1c(CN2CCCCC2C(C)O)nc2cc(F)ccc21.
What is the InChIKey of 1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol?
The InChIKey is LSMXKIVCQZPCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-3-21-16-8-7-13(18)10-14(16)19-17(21)11-20-9-5-4-6-15(20)12(2)22/h7-8,10,12,15,22H,3-6,9,11H2,1-2H3.
What are the key properties of 1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol?
1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol has a molecular weight of 305.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 111106832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).