2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol

C22H27N3O2 — CID 56910309

IUPAC2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESCc1cccc2[nH]c(C3CCN(Cc4ccccc4OCCO)CC3)nc12
InChIInChI=1S/C22H27N3O2/c1-16-5-4-7-19-21(16)24-22(23-19)17-9-11-25(12-10-17)15-18-6-2-3-8-20(18)27-14-13-26/h2-8,17,26H,9-15H2,1H3,(H,23,24)
InChIKeyAMJDSMLTTCMCII-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.62
Rot. Bonds6

About 2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol

2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol (PubChem CID 56910309) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
PubChem CID56910309
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESCc1cccc2[nH]c(C3CCN(Cc4ccccc4OCCO)CC3)nc12
InChIInChI=1S/C22H27N3O2/c1-16-5-4-7-19-21(16)24-22(23-19)17-9-11-25(12-10-17)15-18-6-2-3-8-20(18)27-14-13-26/h2-8,17,26H,9-15H2,1H3,(H,23,24)
InChIKeyAMJDSMLTTCMCII-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol (CID 56910309) is 2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol is Cc1cccc2[nH]c(C3CCN(Cc4ccccc4OCCO)CC3)nc12.
What is the InChIKey of 2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol?
The InChIKey is AMJDSMLTTCMCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-5-4-7-19-21(16)24-22(23-19)17-9-11-25(12-10-17)15-18-6-2-3-8-20(18)27-14-13-26/h2-8,17,26H,9-15H2,1H3,(H,23,24).
What are the key properties of 2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol?
2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol has a molecular weight of 365.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 56910309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).