tert-butyl 2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylate

C14H18N2O3 — CID 86589912

IUPACtert-butyl 2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C1c1cccc(O)c1
InChIInChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-8-7-15-12(16)10-5-4-6-11(17)9-10/h4-6,9,17H,7-8H2,1-3H3
InChIKeyXGSAUGZWTUUBQJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.39
Rot. Bonds1

About tert-butyl 2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylate

tert-butyl 2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylate (PubChem CID 86589912) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is tert-butyl 2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylate
PubChem CID86589912
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nametert-butyl 2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C1c1cccc(O)c1
InChIInChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-8-7-15-12(16)10-5-4-6-11(17)9-10/h4-6,9,17H,7-8H2,1-3H3
InChIKeyXGSAUGZWTUUBQJ-UHFFFAOYSA-N
XLogP2.39
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate
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tert-butyl 2-[4-[2-[3-[benzyl(methyl)amino]propanoyl-methylamino]ethyl]phenyl]-4,5-dihydroimidazole-1-carboxylate
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1-O-tert-butyl 5-O-methyl 4-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
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tert-butyl 3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
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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
CID 90856072
tert-butyl 2-[4-[2-[[4-[benzenesulfonyl(methyl)amino]-2-oxobutyl]amino]ethyl]phenyl]-4,5-dihydroimidazole-1-carboxylate
CID 69449418
tert-butyl 6-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate;ethane
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tert-butyl 2-[4-[[4-[(2,3-dichlorophenyl)sulfonylmethylamino]butanoyl-methylamino]methyl]phenyl]-4,5-dihydroimidazole-1-carboxylate
CID 91502693
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855
tert-butyl 4-[3-[2-(3-hydroxyphenoxy)ethoxy]pyrazin-2-yl]piperazine-1-carboxylate
CID 22036242
tert-butyl 4-[4-(3-hydroxyphenyl)-2-[(4-methylphenyl)carbamoyl]benzoyl]piperazine-1-carboxylate
CID 175249109
3-aminobenzoic acid;tert-butyl 2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylate;3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]methyl]benzoic acid
CID 161383487

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylate (CID 86589912) is tert-butyl 2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylate is CC(C)(C)OC(=O)N1CCN=C1c1cccc(O)c1.
What is the InChIKey of tert-butyl 2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylate?
The InChIKey is XGSAUGZWTUUBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-8-7-15-12(16)10-5-4-6-11(17)9-10/h4-6,9,17H,7-8H2,1-3H3.
What are the key properties of tert-butyl 2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylate?
tert-butyl 2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 86589912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).