2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol

C22H27N3O2 — CID 56893383

IUPAC2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESCn1c(C2CCN(Cc3cccc(OCCO)c3)CC2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-24-21-8-3-2-7-20(21)23-22(24)18-9-11-25(12-10-18)16-17-5-4-6-19(15-17)27-14-13-26/h2-8,15,18,26H,9-14,16H2,1H3
InChIKeyCZWXBMWVVNXEOY-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.32
Rot. Bonds6

About 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol

2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol (PubChem CID 56893383) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
PubChem CID56893383
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESCn1c(C2CCN(Cc3cccc(OCCO)c3)CC2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-24-21-8-3-2-7-20(21)23-22(24)18-9-11-25(12-10-18)16-17-5-4-6-19(15-17)27-14-13-26/h2-8,15,18,26H,9-14,16H2,1H3
InChIKeyCZWXBMWVVNXEOY-UHFFFAOYSA-N
XLogP3.32
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine
CID 56915361
2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 99950414
2-[3-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]phenoxy]ethanol
CID 5015414
2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 51137878
2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 75615874
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
4-[[3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75615869
5-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 162628676
2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane
CID 142063366
1-[(4-chlorophenyl)methyl]-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzimidazole
CID 10342628
2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996713
(3aR,7aS)-2-[[3-(2-hydroxyethoxy)phenyl]methyl]-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138387669

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol (CID 56893383) is 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol is Cn1c(C2CCN(Cc3cccc(OCCO)c3)CC2)nc2ccccc21.
What is the InChIKey of 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol?
The InChIKey is CZWXBMWVVNXEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-24-21-8-3-2-7-20(21)23-22(24)18-9-11-25(12-10-18)16-17-5-4-6-19(15-17)27-14-13-26/h2-8,15,18,26H,9-14,16H2,1H3.
What are the key properties of 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol?
2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol has a molecular weight of 365.48 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 56893383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).