1-(1H-imidazol-5-yl)-2-methylpropan-1-one

C7H10N2O — CID 10197729

IUPAC1-(1H-imidazol-5-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnc[nH]1
InChIInChI=1S/C7H10N2O/c1-5(2)7(10)6-3-8-4-9-6/h3-5H,1-2H3,(H,8,9)
InChIKeyXFSKTPIUQZQHBU-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.25
Rot. Bonds2

About 1-(1H-imidazol-5-yl)-2-methylpropan-1-one

1-(1H-imidazol-5-yl)-2-methylpropan-1-one (PubChem CID 10197729) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-2-methylpropan-1-one
PubChem CID10197729
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-(1H-imidazol-5-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnc[nH]1
InChIInChI=1S/C7H10N2O/c1-5(2)7(10)6-3-8-4-9-6/h3-5H,1-2H3,(H,8,9)
InChIKeyXFSKTPIUQZQHBU-UHFFFAOYSA-N
XLogP1.25
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide
CID 141300351
1H-imidazole-5-carboxylic acid;dihydrate
CID 140542846
bis(1H-imidazole-5-carboxylic acid);manganese
CID 134691385
N-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124436
N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124408
N-(1-hydroxypropan-2-yl)-N-methyl-1H-imidazole-5-carboxamide
CID 115869545
N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide
CID 83031870
ethane;1-(1H-imidazol-5-yl)propan-1-one
CID 145105684
methyl 1H-imidazole-5-carboxylate;hydrochloride
CID 45116490
N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide
CID 104877130
ethyl 1H-imidazole-5-carboxylate;molecular hydrogen
CID 164601521
methyl 2-(1H-imidazol-5-yl)-2-oxoacetate
CID 131591777

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(1H-imidazol-5-yl)-2-methylpropan-1-one (CID 10197729) is 1-(1H-imidazol-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1H-imidazol-5-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-2-methylpropan-1-one?
The InChIKey is XFSKTPIUQZQHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5(2)7(10)6-3-8-4-9-6/h3-5H,1-2H3,(H,8,9).
What are the key properties of 1-(1H-imidazol-5-yl)-2-methylpropan-1-one?
1-(1H-imidazol-5-yl)-2-methylpropan-1-one has a molecular weight of 138.17 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-2-methylpropan-1-one is sourced from PubChem (CID 10197729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).