1-(1,5-dimethylimidazol-2-yl)propan-2-one

C8H12N2O — CID 59225880

IUPAC1-(1,5-dimethylimidazol-2-yl)propan-2-one
SMILESCC(=O)Cc1ncc(C)n1C
InChIInChI=1S/C8H12N2O/c1-6-5-9-8(10(6)3)4-7(2)11/h5H,4H2,1-3H3
InChIKeyMPZIWFHGJNMKDK-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.86
Rot. Bonds2

About 1-(1,5-dimethylimidazol-2-yl)propan-2-one

1-(1,5-dimethylimidazol-2-yl)propan-2-one (PubChem CID 59225880) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(1,5-dimethylimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,5-dimethylimidazol-2-yl)propan-2-one
PubChem CID59225880
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(1,5-dimethylimidazol-2-yl)propan-2-one
SMILESCC(=O)Cc1ncc(C)n1C
InChIInChI=1S/C8H12N2O/c1-6-5-9-8(10(6)3)4-7(2)11/h5H,4H2,1-3H3
InChIKeyMPZIWFHGJNMKDK-UHFFFAOYSA-N
XLogP0.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole
CID 117188344
2-(ethoxymethyl)-1,5-dimethylimidazole
CID 117188439
4-[(1,5-dimethylimidazol-2-yl)methoxy]phenol
CID 117188417
2-(1,5-dimethylimidazol-2-yl)sulfanylacetic acid
CID 81336663
1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one
CID 83857936
1-(7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one
CID 117253978
2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid
CID 83848568
1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one
CID 117254007
1-(5-tert-butylpyrimidin-2-yl)propan-2-one
CID 165372273
2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid
CID 83850349
tert-butyl 2-(5-formyl-1-methylimidazol-2-yl)acetate
CID 161319013
2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid
CID 83847445

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylimidazol-2-yl)propan-2-one?
The IUPAC name of 1-(1,5-dimethylimidazol-2-yl)propan-2-one (CID 59225880) is 1-(1,5-dimethylimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(1,5-dimethylimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-(1,5-dimethylimidazol-2-yl)propan-2-one is CC(=O)Cc1ncc(C)n1C.
What is the InChIKey of 1-(1,5-dimethylimidazol-2-yl)propan-2-one?
The InChIKey is MPZIWFHGJNMKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-5-9-8(10(6)3)4-7(2)11/h5H,4H2,1-3H3.
What are the key properties of 1-(1,5-dimethylimidazol-2-yl)propan-2-one?
1-(1,5-dimethylimidazol-2-yl)propan-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylimidazol-2-yl)propan-2-one is sourced from PubChem (CID 59225880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).