[5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol

C22H27N3O2 — CID 74233620

IUPAC[5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(CN2CCCCC2c2nc3ccccc3[nH]2)cc1CO
InChIInChI=1S/C22H27N3O2/c1-2-27-21-11-10-16(13-17(21)15-26)14-25-12-6-5-9-20(25)22-23-18-7-3-4-8-19(18)24-22/h3-4,7-8,10-11,13,20,26H,2,5-6,9,12,14-15H2,1H3,(H,23,24)
InChIKeyHSRQOXZZTVZOEO-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.18
Rot. Bonds6

About [5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol

[5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol (PubChem CID 74233620) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is [5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol
PubChem CID74233620
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name[5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(CN2CCCCC2c2nc3ccccc3[nH]2)cc1CO
InChIInChI=1S/C22H27N3O2/c1-2-27-21-11-10-16(13-17(21)15-26)14-25-12-6-5-9-20(25)22-23-18-7-3-4-8-19(18)24-22/h3-4,7-8,10-11,13,20,26H,2,5-6,9,12,14-15H2,1H3,(H,23,24)
InChIKeyHSRQOXZZTVZOEO-UHFFFAOYSA-N
XLogP4.18
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-ethoxy-5-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 124981234
4-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-2-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136881742
[2-ethoxy-5-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]methanol
CID 77082765
[2-ethoxy-5-[[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]phenyl]methanol
CID 125014646
(E)-3-[4-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]prop-2-enoic acid
CID 110166541
2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97138643
2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole
CID 77079706
4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 99958850
4-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 77097504
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 25405008
2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole
CID 56897456
5-[[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124753344

Frequently Asked Questions

What is the IUPAC name of [5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol?
The IUPAC name of [5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol (CID 74233620) is [5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol.
What is the SMILES notation for [5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol?
The canonical SMILES for [5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol is CCOc1ccc(CN2CCCCC2c2nc3ccccc3[nH]2)cc1CO.
What is the InChIKey of [5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol?
The InChIKey is HSRQOXZZTVZOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-27-21-11-10-16(13-17(21)15-26)14-25-12-6-5-9-20(25)22-23-18-7-3-4-8-19(18)24-22/h3-4,7-8,10-11,13,20,26H,2,5-6,9,12,14-15H2,1H3,(H,23,24).
What are the key properties of [5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol?
[5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol has a molecular weight of 365.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-ethoxyphenyl]methanol is sourced from PubChem (CID 74233620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).