N-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide

C10H17N3O2 — CID 107973093

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide
SMILESCN(C(=O)c1cn(C)cn1)C(C)(C)CO
InChIInChI=1S/C10H17N3O2/c1-10(2,6-14)13(4)9(15)8-5-12(3)7-11-8/h5,7,14H,6H2,1-4H3
InChIKeyZXFOLXABKRYZSE-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.26
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide (PubChem CID 107973093) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide
PubChem CID107973093
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide
SMILESCN(C(=O)c1cn(C)cn1)C(C)(C)CO
InChIInChI=1S/C10H17N3O2/c1-10(2,6-14)13(4)9(15)8-5-12(3)7-11-8/h5,7,14H,6H2,1-4H3
InChIKeyZXFOLXABKRYZSE-UHFFFAOYSA-N
XLogP0.26
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carboxylic acid methylamide
CID 14888745
N-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
CID 14888748
N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide
CID 65940567
1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carboxylic acid dimethylamide
CID 14888741
1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carboxylic acid ethylamide
CID 14888746
7-acetyl-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 97468765
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(3-methylimidazol-4-yl)methanone
CID 172434035
1-(2-hydroxyethyl)-1H-imidazole-4-carbaldehyde
CID 121602400
N-butyl-N-methyl-5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
CID 86771521
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511362
N-cyclopropyl-3-methyl-N-(3-methylpentan-2-yl)imidazole-4-carboxamide
CID 119049404
[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 124050016

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide (CID 107973093) is N-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide is CN(C(=O)c1cn(C)cn1)C(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide?
The InChIKey is ZXFOLXABKRYZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,6-14)13(4)9(15)8-5-12(3)7-11-8/h5,7,14H,6H2,1-4H3.
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-N,1-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 107973093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).