[4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol

C18H24N2O2 — CID 154570402

IUPAC[4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol
SMILESCCc1ccccc1-c1nccn1CC1(CO)CCOCC1
InChIInChI=1S/C18H24N2O2/c1-2-15-5-3-4-6-16(15)17-19-9-10-20(17)13-18(14-21)7-11-22-12-8-18/h3-6,9-10,21H,2,7-8,11-14H2,1H3
InChIKeyZPYWNPVFWFUNRH-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.90
Rot. Bonds5

About [4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol

[4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol (PubChem CID 154570402) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is [4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol
PubChem CID154570402
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name[4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol
SMILESCCc1ccccc1-c1nccn1CC1(CO)CCOCC1
InChIInChI=1S/C18H24N2O2/c1-2-15-5-3-4-6-16(15)17-19-9-10-20(17)13-18(14-21)7-11-22-12-8-18/h3-6,9-10,21H,2,7-8,11-14H2,1H3
InChIKeyZPYWNPVFWFUNRH-UHFFFAOYSA-N
XLogP2.90
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol with MolForge

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Related Compounds

[4-[[2-(2,3,4-trimethoxyphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol
CID 146038906
2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid
CID 56879229
1-[[4-(bromomethyl)oxan-4-yl]methyl]-2-thiophen-2-ylimidazole
CID 65007120
[3-[(2-aminoimidazol-1-yl)methyl]oxetan-3-yl]methanol
CID 165482251
N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
CID 63974370
1-ethyl-2-(2-methylphenyl)imidazole
CID 110540780
4-(1-propylimidazol-2-yl)oxan-4-ol
CID 63975845
1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazole-2-carbonitrile
CID 130633053
2-[1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]imidazol-2-yl]pyridine
CID 146039195
1-ethyl-2-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]imidazole
CID 56918946
2-methyl-3-[2-(1-methylimidazol-2-yl)phenyl]propanoic acid
CID 117362627
4-(bromomethyl)-4-[(2-ethylphenoxy)methyl]oxane
CID 65004786

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol (CID 154570402) is [4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol is CCc1ccccc1-c1nccn1CC1(CO)CCOCC1.
What is the InChIKey of [4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol?
The InChIKey is ZPYWNPVFWFUNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-15-5-3-4-6-16(15)17-19-9-10-20(17)13-18(14-21)7-11-22-12-8-18/h3-6,9-10,21H,2,7-8,11-14H2,1H3.
What are the key properties of [4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol?
[4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol has a molecular weight of 300.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 154570402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).