N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide

C12H19N3O2 — CID 141300351

IUPACN-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide
SMILESCC(C)C(=O)[C@@H](NC(=O)c1cnc[nH]1)C(C)C
InChIInChI=1S/C12H19N3O2/c1-7(2)10(11(16)8(3)4)15-12(17)9-5-13-6-14-9/h5-8,10H,1-4H3,(H,13,14)(H,15,17)/t10-/m0/s1
InChIKeyNZZATLGEXYUXBJ-JTQLQIEISA-N
MW237.30 g/mol
LogP1.39
Rot. Bonds5

About N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide

N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide (PubChem CID 141300351) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide
PubChem CID141300351
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide
SMILESCC(C)C(=O)[C@@H](NC(=O)c1cnc[nH]1)C(C)C
InChIInChI=1S/C12H19N3O2/c1-7(2)10(11(16)8(3)4)15-12(17)9-5-13-6-14-9/h5-8,10H,1-4H3,(H,13,14)(H,15,17)/t10-/m0/s1
InChIKeyNZZATLGEXYUXBJ-JTQLQIEISA-N
XLogP1.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide
CID 104877130
N-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124436
N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124408
1-(1H-imidazol-5-yl)-2-methylpropan-1-one
CID 10197729
N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide
CID 83031870
1H-imidazole-5-carbohydrazide;hydrochloride
CID 141069695
methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate
CID 64539915
N-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]-1H-imidazole-5-carboxamide
CID 70203096
N-[(3R,4S)-1-(2,3-dimethylphenyl)-4-hydroxypentan-3-yl]-1H-imidazole-5-carboxamide
CID 70097242
N-(1-amino-2,3-dimethylbutan-2-yl)-1H-imidazole-5-carboxamide
CID 115310453
N-[(3R,4S)-4-hydroxy-1-(2-methylsulfinylphenyl)pentan-3-yl]-1H-imidazole-5-carboxamide
CID 70096985
N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide
CID 99974325

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide (CID 141300351) is N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide is CC(C)C(=O)[C@@H](NC(=O)c1cnc[nH]1)C(C)C.
What is the InChIKey of N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide?
The InChIKey is NZZATLGEXYUXBJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7(2)10(11(16)8(3)4)15-12(17)9-5-13-6-14-9/h5-8,10H,1-4H3,(H,13,14)(H,15,17)/t10-/m0/s1.
What are the key properties of N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide?
N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 141300351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).