tert-butyl N-imidazol-1-ylcarbamate

C8H13N3O2 — CID 67503265

IUPACtert-butyl N-imidazol-1-ylcarbamate
SMILESCC(C)(C)OC(=O)Nn1ccnc1
InChIInChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)10-11-5-4-9-6-11/h4-6H,1-3H3,(H,10,12)
InChIKeySBVZINDHHASGOW-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.36
Rot. Bonds1

About tert-butyl N-imidazol-1-ylcarbamate

tert-butyl N-imidazol-1-ylcarbamate (PubChem CID 67503265) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is tert-butyl N-imidazol-1-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-imidazol-1-ylcarbamate
PubChem CID67503265
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Nametert-butyl N-imidazol-1-ylcarbamate
SMILESCC(C)(C)OC(=O)Nn1ccnc1
InChIInChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)10-11-5-4-9-6-11/h4-6H,1-3H3,(H,10,12)
InChIKeySBVZINDHHASGOW-UHFFFAOYSA-N
XLogP1.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-oxopyrazin-1-yl)carbamate
CID 141415282
imidazol-1-ylcarbamothioic S-acid
CID 91807030
tert-butyl N-(2-imidazol-1-ylpropyl)carbamate
CID 151187469
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
tert-butyl 2-amino-3-imidazol-1-yl-2-methylpropanoate
CID 165490503
tert-butyl N-[(2S)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate
CID 170928614
tert-butyl N-[(3S)-6-imidazol-1-yl-2,6-dioxohexan-3-yl]carbamate
CID 162057362
tert-butyl N-[3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]propyl]carbamate
CID 103821872
tert-butyl 2-imidazol-1-ylethyl carbonate
CID 58743666
tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate
CID 80560625
tert-butyl N-[4-(2-imidazol-1-ylethylcarbamoylamino)phenyl]carbamate
CID 56827057
tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate
CID 177333870

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-imidazol-1-ylcarbamate?
The IUPAC name of tert-butyl N-imidazol-1-ylcarbamate (CID 67503265) is tert-butyl N-imidazol-1-ylcarbamate.
What is the SMILES notation for tert-butyl N-imidazol-1-ylcarbamate?
The canonical SMILES for tert-butyl N-imidazol-1-ylcarbamate is CC(C)(C)OC(=O)Nn1ccnc1.
What is the InChIKey of tert-butyl N-imidazol-1-ylcarbamate?
The InChIKey is SBVZINDHHASGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)10-11-5-4-9-6-11/h4-6H,1-3H3,(H,10,12).
What are the key properties of tert-butyl N-imidazol-1-ylcarbamate?
tert-butyl N-imidazol-1-ylcarbamate has a molecular weight of 183.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-imidazol-1-ylcarbamate is sourced from PubChem (CID 67503265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).