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

C57H58N4O4 — CID 157221033

IUPAC1-(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
SMILESCCOc1ccc2cc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)ccc2c1.CCOc1ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2c1
InChIInChI=1S/C38H36N2O2.C19H22N2O2/c1-4-42-35-23-21-29-24-34(22-20-30(29)25-35)38(41,28(2)3)36-26-40(27-39-36)37(31-14-8-5-9-15-31,32-16-10-6-11-17-32)33-18-12-7-13-19-33;1-4-23-17-8-6-14-9-16(7-5-15(14)10-17)19(22,13(2)3)18-11-20-12-21-18/h5-28,41H,4H2,1-3H3;5-13,22H,4H2,1-3H3,(H,20,21)
InChIKeyASZLXXNLIXXOSG-UHFFFAOYSA-N
MW863.12 g/mol
LogP12.02
Rot. Bonds14

About 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

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 (PubChem CID 157221033) has the molecular formula C57H58N4O4 and a molecular weight of 863.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID157221033
Molecular FormulaC57H58N4O4
Molecular Weight863.12 g/mol
Exact Mass862.45
IUPAC Name1-(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
SMILESCCOc1ccc2cc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)ccc2c1.CCOc1ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2c1
InChIInChI=1S/C38H36N2O2.C19H22N2O2/c1-4-42-35-23-21-29-24-34(22-20-30(29)25-35)38(41,28(2)3)36-26-40(27-39-36)37(31-14-8-5-9-15-31,32-16-10-6-11-17-32)33-18-12-7-13-19-33;1-4-23-17-8-6-14-9-16(7-5-15(14)10-17)19(22,13(2)3)18-11-20-12-21-18/h5-28,41H,4H2,1-3H3;5-13,22H,4H2,1-3H3,(H,20,21)
InChIKeyASZLXXNLIXXOSG-UHFFFAOYSA-N
XLogP12.02
TPSA105.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.12
LogP ≤ 512.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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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-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
[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalen-2-yl] 2,2-dimethylpropanoate
CID 22018422
methyl 1-chloro-6-[1-hydroxy-2-methyl-1-(1-tritylimidazol-4-yl)propyl]naphthalene-2-carboxylate
CID 18769130
(6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone
CID 22664967
1-[4-(3-methoxyphenyl)phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
CID 18668662
N-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide
CID 22737877
(3S)-3-hydroxy-2-methyl-3-[6-(methylcarbamoyl)naphthalen-2-yl]-3-(1-tritylimidazol-4-yl)propanoic acid
CID 66650487
[6-[1-hydroxy-3-methyl-1-(1-tritylimidazol-4-yl)butyl]naphthalen-2-yl] trifluoromethanesulfonate;isocyanic acid
CID 162621363
6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol
CID 22018386
N-[3-[4-[1-hydroxy-2-methyl-1-(1-tritylimidazol-4-yl)propyl]phenyl]phenyl]acetamide
CID 18668639

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1ccc2cc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)ccc2c1.CCOc1ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2c1.
What is the InChIKey of 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?
The InChIKey is ASZLXXNLIXXOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2O2.C19H22N2O2/c1-4-42-35-23-21-29-24-34(22-20-30(29)25-35)38(41,28(2)3)36-26-40(27-39-36)37(31-14-8-5-9-15-31,32-16-10-6-11-17-32)33-18-12-7-13-19-33;1-4-23-17-8-6-14-9-16(7-5-15(14)10-17)19(22,13(2)3)18-11-20-12-21-18/h5-28,41H,4H2,1-3H3;5-13,22H,4H2,1-3H3,(H,20,21).
What are the key properties of 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?
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 has a molecular weight of 863.12 g/mol, XLogP of 12.02, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157221033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).