tert-butyl 4-(3-methylbutan-2-yl)imidazole-1-carboxylate

C13H22N2O2 — CID 153447175

IUPACtert-butyl 4-(3-methylbutan-2-yl)imidazole-1-carboxylate
SMILESCC(C)C(C)c1cn(C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C13H22N2O2/c1-9(2)10(3)11-7-15(8-14-11)12(16)17-13(4,5)6/h7-10H,1-6H3
InChIKeyJVIHHFYDKFRMQQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.43
Rot. Bonds2

About tert-butyl 4-(3-methylbutan-2-yl)imidazole-1-carboxylate

tert-butyl 4-(3-methylbutan-2-yl)imidazole-1-carboxylate (PubChem CID 153447175) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is tert-butyl 4-(3-methylbutan-2-yl)imidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methylbutan-2-yl)imidazole-1-carboxylate
PubChem CID153447175
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Nametert-butyl 4-(3-methylbutan-2-yl)imidazole-1-carboxylate
SMILESCC(C)C(C)c1cn(C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C13H22N2O2/c1-9(2)10(3)11-7-15(8-14-11)12(16)17-13(4,5)6/h7-10H,1-6H3
InChIKeyJVIHHFYDKFRMQQ-UHFFFAOYSA-N
XLogP3.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-benzylimidazole-1-carboxylate
CID 22958810
tert-butyl 4-phenylimidazole-1-carboxylate
CID 141103955
tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]-methylsulfonyloxymethyl]piperidine-1-carboxylate
CID 11453932
tert-butyl 4-[(E)-3-methoxy-3-oxoprop-1-enyl]imidazole-1-carboxylate
CID 24879572
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate
CID 819122
tert-butyl 4-[[(S)-tert-butylsulfinyl]iminomethyl]imidazole-1-carboxylate
CID 131736961
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
CID 7019673
tert-butyl 4-(3-aminophenyl)imidazole-1-carboxylate
CID 68839882
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]butanoic acid
CID 101030684
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
CID 22838445
tert-butyl 4-(benzenesulfonylmethyl)imidazole-1-carboxylate
CID 147715738
tert-butyl 4-(4-azidobutyl)imidazole-1-carboxylate
CID 51355162

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methylbutan-2-yl)imidazole-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methylbutan-2-yl)imidazole-1-carboxylate (CID 153447175) is tert-butyl 4-(3-methylbutan-2-yl)imidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methylbutan-2-yl)imidazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methylbutan-2-yl)imidazole-1-carboxylate is CC(C)C(C)c1cn(C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 4-(3-methylbutan-2-yl)imidazole-1-carboxylate?
The InChIKey is JVIHHFYDKFRMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(2)10(3)11-7-15(8-14-11)12(16)17-13(4,5)6/h7-10H,1-6H3.
What are the key properties of tert-butyl 4-(3-methylbutan-2-yl)imidazole-1-carboxylate?
tert-butyl 4-(3-methylbutan-2-yl)imidazole-1-carboxylate has a molecular weight of 238.33 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methylbutan-2-yl)imidazole-1-carboxylate is sourced from PubChem (CID 153447175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).