tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate

C16H29N3O2 — CID 102970150

IUPACtert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate
SMILESCc1nc(C(CC(C)(C)C)NC(=O)OC(C)(C)C)[nH]c1C
InChIInChI=1S/C16H29N3O2/c1-10-11(2)18-13(17-10)12(9-15(3,4)5)19-14(20)21-16(6,7)8/h12H,9H2,1-8H3,(H,17,18)(H,19,20)
InChIKeyKKBLRXCLECGGJX-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.03
Rot. Bonds3

About tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate

tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate (PubChem CID 102970150) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate
PubChem CID102970150
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Nametert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate
SMILESCc1nc(C(CC(C)(C)C)NC(=O)OC(C)(C)C)[nH]c1C
InChIInChI=1S/C16H29N3O2/c1-10-11(2)18-13(17-10)12(9-15(3,4)5)19-14(20)21-16(6,7)8/h12H,9H2,1-8H3,(H,17,18)(H,19,20)
InChIKeyKKBLRXCLECGGJX-UHFFFAOYSA-N
XLogP4.03
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-2-hydroxyethyl]carbamate
CID 102970126
tert-butyl N-[1-(6-bromo-1H-benzimidazol-2-yl)-3,3-dimethylbutyl]carbamate
CID 178001622
tert-butyl N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]carbamate
CID 102970151
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
tert-butyl N-[2-hydroxy-1-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)ethyl]carbamate
CID 102970179
(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 7021114
tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate
CID 115527043
tert-butyl N-(2,2,6,6-tetramethyl-3-oxoheptan-4-yl)carbamate
CID 90394148
[(2S)-4,4-dimethylpentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 146590290
tert-butyl N-[1-[1-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)ethylamino]propan-2-yl]carbamate
CID 136902431
tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate
CID 67048287
tert-butyl N-[(1R)-2-(4-bromophenyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate
CID 131748705

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate (CID 102970150) is tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate is Cc1nc(C(CC(C)(C)C)NC(=O)OC(C)(C)C)[nH]c1C.
What is the InChIKey of tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate?
The InChIKey is KKBLRXCLECGGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-10-11(2)18-13(17-10)12(9-15(3,4)5)19-14(20)21-16(6,7)8/h12H,9H2,1-8H3,(H,17,18)(H,19,20).
What are the key properties of tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate?
tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate has a molecular weight of 295.43 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4,5-dimethyl-1H-imidazol-2-yl)-3,3-dimethylbutyl]carbamate is sourced from PubChem (CID 102970150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).