[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate

C21H24N2O4 — CID 22018417

IUPAC[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate
SMILESCOc1ccc2cc(C(O)(c3cn(COC(C)=O)cn3)C(C)C)ccc2c1
InChIInChI=1S/C21H24N2O4/c1-14(2)21(25,20-11-23(12-22-20)13-27-15(3)24)18-7-5-17-10-19(26-4)8-6-16(17)9-18/h5-12,14,25H,13H2,1-4H3
InChIKeyJLTKNYOFVZZQOB-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.46
Rot. Bonds6

About [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate

[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate (PubChem CID 22018417) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate.

Molecular Properties

Compound Name[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate
PubChem CID22018417
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate
SMILESCOc1ccc2cc(C(O)(c3cn(COC(C)=O)cn3)C(C)C)ccc2c1
InChIInChI=1S/C21H24N2O4/c1-14(2)21(25,20-11-23(12-22-20)13-27-15(3)24)18-7-5-17-10-19(26-4)8-6-16(17)9-18/h5-12,14,25H,13H2,1-4H3
InChIKeyJLTKNYOFVZZQOB-UHFFFAOYSA-N
XLogP3.46
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(2-methoxyethoxy)naphthalen-2-yl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
CID 54088169
2-methyl-1-(6-phenylnaphthalen-2-yl)-1-(1-tritylimidazol-4-yl)propan-1-ol
CID 18769087
1-(6-ethoxynaphthalen-2-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol;1-(6-ethoxynaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
CID 157221033
1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
CID 18668662
2-(6-methoxynaphthalen-2-yl)-2-(propan-2-ylamino)propanamide
CID 60788360
1-[6-(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(2H-triazol-4-yl)propan-1-ol
CID 69281314
methyl 1-chloro-6-[1-hydroxy-2-methyl-1-(1-tritylimidazol-4-yl)propyl]naphthalene-2-carboxylate
CID 18769130
1-(6-ethenylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol;1-(6-ethylnaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
CID 22018363
1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol
CID 58480144
1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol
CID 158043294
ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
CID 93483561
1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 58480145

Frequently Asked Questions

What is the IUPAC name of [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate?
The IUPAC name of [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate (CID 22018417) is [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate.
What is the SMILES notation for [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate?
The canonical SMILES for [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate is COc1ccc2cc(C(O)(c3cn(COC(C)=O)cn3)C(C)C)ccc2c1.
What is the InChIKey of [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate?
The InChIKey is JLTKNYOFVZZQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14(2)21(25,20-11-23(12-22-20)13-27-15(3)24)18-7-5-17-10-19(26-4)8-6-16(17)9-18/h5-12,14,25H,13H2,1-4H3.
What are the key properties of [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate?
[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate has a molecular weight of 368.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)-2-methylpropyl]imidazol-1-yl]methyl acetate is sourced from PubChem (CID 22018417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).