1-[1-(2,2-dimethylpropyl)-2-methylimidazol-4-yl]-2,2-dimethylpropan-1-one

C14H24N2O — CID 159327359

IUPAC1-[1-(2,2-dimethylpropyl)-2-methylimidazol-4-yl]-2,2-dimethylpropan-1-one
SMILESCc1nc(C(=O)C(C)(C)C)cn1CC(C)(C)C
InChIInChI=1S/C14H24N2O/c1-10-15-11(12(17)14(5,6)7)8-16(10)9-13(2,3)4/h8H,9H2,1-7H3
InChIKeyUPIBSESZUOWYHD-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.47
Rot. Bonds2

About 1-[1-(2,2-dimethylpropyl)-2-methylimidazol-4-yl]-2,2-dimethylpropan-1-one

1-[1-(2,2-dimethylpropyl)-2-methylimidazol-4-yl]-2,2-dimethylpropan-1-one (PubChem CID 159327359) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropyl)-2-methylimidazol-4-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropyl)-2-methylimidazol-4-yl]-2,2-dimethylpropan-1-one
PubChem CID159327359
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[1-(2,2-dimethylpropyl)-2-methylimidazol-4-yl]-2,2-dimethylpropan-1-one
SMILESCc1nc(C(=O)C(C)(C)C)cn1CC(C)(C)C
InChIInChI=1S/C14H24N2O/c1-10-15-11(12(17)14(5,6)7)8-16(10)9-13(2,3)4/h8H,9H2,1-7H3
InChIKeyUPIBSESZUOWYHD-UHFFFAOYSA-N
XLogP3.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide
CID 70981835
1-(2-fluoroethyl)-2-methylimidazole-4-carboxamide
CID 89157790
2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one
CID 115529797
2,2-dimethyl-1-(8-methylimidazo[1,2-a]pyridin-2-yl)propan-1-one
CID 58252544
1-[5-(2,2-dimethylpropanoyl)pyrazin-2-yl]-2,2-dimethylpropan-1-one
CID 171717486
1-[2-tert-butyl-6-(2,2-dimethylpropanoyl)pyrimidin-4-yl]-2,2-dimethylpropan-1-one
CID 171748809
N-(2,2-dimethylpropyl)-2-(4-ethyl-2-methylimidazol-1-yl)acetamide
CID 163900925
2-methyl-1-[(2-methylphenyl)methyl]imidazole-4-carboxylic acid
CID 82288749
1-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,2-dimethylpropan-1-one
CID 83388867
methyl 1-(2,2-dimethylpropyl)triazole-4-carboxylate
CID 58459637
1-[2-(2,2-dimethylpropyl)pyrazol-3-yl]ethanone
CID 84657554
1-[1-(2,2-dimethylpropyl)pyrazol-3-yl]ethanone
CID 123550160

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropyl)-2-methylimidazol-4-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[1-(2,2-dimethylpropyl)-2-methylimidazol-4-yl]-2,2-dimethylpropan-1-one (CID 159327359) is 1-[1-(2,2-dimethylpropyl)-2-methylimidazol-4-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[1-(2,2-dimethylpropyl)-2-methylimidazol-4-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[1-(2,2-dimethylpropyl)-2-methylimidazol-4-yl]-2,2-dimethylpropan-1-one is Cc1nc(C(=O)C(C)(C)C)cn1CC(C)(C)C.
What is the InChIKey of 1-[1-(2,2-dimethylpropyl)-2-methylimidazol-4-yl]-2,2-dimethylpropan-1-one?
The InChIKey is UPIBSESZUOWYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-15-11(12(17)14(5,6)7)8-16(10)9-13(2,3)4/h8H,9H2,1-7H3.
What are the key properties of 1-[1-(2,2-dimethylpropyl)-2-methylimidazol-4-yl]-2,2-dimethylpropan-1-one?
1-[1-(2,2-dimethylpropyl)-2-methylimidazol-4-yl]-2,2-dimethylpropan-1-one has a molecular weight of 236.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropyl)-2-methylimidazol-4-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 159327359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).