2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol

C17H24FN3O — CID 96516180

IUPAC2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol
SMILESCCn1c(CN2CCCC[C@@H]2CCO)nc2c(F)cccc21
InChIInChI=1S/C17H24FN3O/c1-2-21-15-8-5-7-14(18)17(15)19-16(21)12-20-10-4-3-6-13(20)9-11-22/h5,7-8,13,22H,2-4,6,9-12H2,1H3/t13-/m1/s1
InChIKeyMOHXNLCZKNOJMZ-CYBMUJFWSA-N
MW305.40 g/mol
LogP2.93
Rot. Bonds5

About 2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol

2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol (PubChem CID 96516180) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol
PubChem CID96516180
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol
SMILESCCn1c(CN2CCCC[C@@H]2CCO)nc2c(F)cccc21
InChIInChI=1S/C17H24FN3O/c1-2-21-15-8-5-7-14(18)17(15)19-16(21)12-20-10-4-3-6-13(20)9-11-22/h5,7-8,13,22H,2-4,6,9-12H2,1H3/t13-/m1/s1
InChIKeyMOHXNLCZKNOJMZ-CYBMUJFWSA-N
XLogP2.93
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

[(2S,4S)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
CID 128986804
2-(2-chloroethyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluorobenzimidazole
CID 60790466
2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 60690062
(3R)-N-cyclopropyl-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 95309988
1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole
CID 52879080
methyl 1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 86807022
1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid
CID 167828749
(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
CID 870763
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 113345056
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79846796
1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62690625

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol (CID 96516180) is 2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol is CCn1c(CN2CCCC[C@@H]2CCO)nc2c(F)cccc21.
What is the InChIKey of 2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol?
The InChIKey is MOHXNLCZKNOJMZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-2-21-15-8-5-7-14(18)17(15)19-16(21)12-20-10-4-3-6-13(20)9-11-22/h5,7-8,13,22H,2-4,6,9-12H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol?
2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol has a molecular weight of 305.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 96516180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).