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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 56710301
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70746403
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 56753993
4-methyl-2-piperidin-4-yl-1H-benzimidazole
CID 18761517
1-ethyl-4-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile
CID 56899728
2-[2-[(4-aminoazepan-1-yl)methyl]phenoxy]ethanol;dihydrochloride
CID 154900743
(3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 155911283
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 70730737
2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol
CID 50963524
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70768059
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 70734781

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).