tert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate

C18H20N2O3 — CID 139927395

IUPACtert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C1c1ccc2cc(O)ccc2c1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)23-17(22)20-9-8-19-16(20)14-5-4-13-11-15(21)7-6-12(13)10-14/h4-7,10-11,21H,8-9H2,1-3H3
InChIKeyRIPYPPQWYMKXBJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.54
Rot. Bonds1

About tert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate

tert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate (PubChem CID 139927395) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is tert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate
PubChem CID139927395
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nametert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C1c1ccc2cc(O)ccc2c1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)23-17(22)20-9-8-19-16(20)14-5-4-13-11-15(21)7-6-12(13)10-14/h4-7,10-11,21H,8-9H2,1-3H3
InChIKeyRIPYPPQWYMKXBJ-UHFFFAOYSA-N
XLogP3.54
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 2-[4-[[methyl-[2-[2-[methyl-(3-methylphenyl)sulfonylamino]ethoxy]acetyl]amino]methyl]phenyl]-4,5-dihydroimidazole-1-carboxylate
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tert-butyl 2-[4-[2-[[4-[benzenesulfonyl(methyl)amino]-2-oxobutyl]amino]ethyl]phenyl]-4,5-dihydroimidazole-1-carboxylate
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CID 91118913
tert-butyl 2-[4-[[methyl-[5-[methyl-(2,3,4-trichlorophenyl)sulfonylamino]pentanoyl]amino]methyl]phenyl]-4,5-dihydroimidazole-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of tert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate (CID 139927395) is tert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for tert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate is CC(C)(C)OC(=O)N1CCN=C1c1ccc2cc(O)ccc2c1.
What is the InChIKey of tert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate?
The InChIKey is RIPYPPQWYMKXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-18(2,3)23-17(22)20-9-8-19-16(20)14-5-4-13-11-15(21)7-6-12(13)10-14/h4-7,10-11,21H,8-9H2,1-3H3.
What are the key properties of tert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate?
tert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 139927395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).