3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol

C21H31N3O2 — CID 154566782

IUPAC3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol
SMILESCCOc1cc(C)c(-c2nccn2CC2(O)CCCNC2)cc1C(C)C
InChIInChI=1S/C21H31N3O2/c1-5-26-19-11-16(4)18(12-17(19)15(2)3)20-23-9-10-24(20)14-21(25)7-6-8-22-13-21/h9-12,15,22,25H,5-8,13-14H2,1-4H3
InChIKeyWMDCPEUCBWMHPQ-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.50
Rot. Bonds6

About 3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol

3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol (PubChem CID 154566782) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol
PubChem CID154566782
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol
SMILESCCOc1cc(C)c(-c2nccn2CC2(O)CCCNC2)cc1C(C)C
InChIInChI=1S/C21H31N3O2/c1-5-26-19-11-16(4)18(12-17(19)15(2)3)20-23-9-10-24(20)14-21(25)7-6-8-22-13-21/h9-12,15,22,25H,5-8,13-14H2,1-4H3
InChIKeyWMDCPEUCBWMHPQ-UHFFFAOYSA-N
XLogP3.50
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol 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

5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169419039
3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride
CID 154921300
3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]pyrrolidin-3-ol;dihydrochloride
CID 163334095
3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 146039804
3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride
CID 154920567
3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol
CID 154571233
4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 3885478
1-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperazine
CID 82266066
acetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol
CID 155972300
3-[(1-ethylimidazol-2-yl)methyl]azetidin-3-ol
CID 79744249
1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene
CID 58065697
3-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]piperidin-3-ol
CID 70729852

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol?
The IUPAC name of 3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol (CID 154566782) is 3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol?
The canonical SMILES for 3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol is CCOc1cc(C)c(-c2nccn2CC2(O)CCCNC2)cc1C(C)C.
What is the InChIKey of 3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol?
The InChIKey is WMDCPEUCBWMHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-5-26-19-11-16(4)18(12-17(19)15(2)3)20-23-9-10-24(20)14-21(25)7-6-8-22-13-21/h9-12,15,22,25H,5-8,13-14H2,1-4H3.
What are the key properties of 3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol?
3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol has a molecular weight of 357.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 154566782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).