1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone

C14H16N2O — CID 139467477

IUPAC1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone
SMILESCC(=O)c1nc(C)n(Cc2ccccc2)c1C
InChIInChI=1S/C14H16N2O/c1-10-14(11(2)17)15-12(3)16(10)9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3
InChIKeyIBKMYFHDXSNDHZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.75
Rot. Bonds3

About 1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone

1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone (PubChem CID 139467477) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone
PubChem CID139467477
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone
SMILESCC(=O)c1nc(C)n(Cc2ccccc2)c1C
InChIInChI=1S/C14H16N2O/c1-10-14(11(2)17)15-12(3)16(10)9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3
InChIKeyIBKMYFHDXSNDHZ-UHFFFAOYSA-N
XLogP2.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
CID 118357157
3-benzyl-6-hydroxy-2-methylpyrimidin-4-one
CID 135737348
1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone
CID 71512806
methyl 4-acetyl-1-benzyl-5-methylpyrrole-2-carboxylate
CID 12027879
2-bromo-5-methyl-1-[(4-phenylphenyl)methyl]imidazole-4-carboxylic acid
CID 142503494
3-benzyl-6-chloro-2,5-dimethylpyrimidin-4-one
CID 143373161
7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 15476466
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
1-(7-benzyl-2,4-dichloropyrrolo[2,3-d]pyrimidin-6-yl)ethanone
CID 146171822
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
1-(1-benzyl-6-methyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone
CID 839885
3-[(4-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid
CID 82296233

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone?
The IUPAC name of 1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone (CID 139467477) is 1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone?
The canonical SMILES for 1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone is CC(=O)c1nc(C)n(Cc2ccccc2)c1C.
What is the InChIKey of 1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone?
The InChIKey is IBKMYFHDXSNDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-14(11(2)17)15-12(3)16(10)9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3.
What are the key properties of 1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone?
1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone has a molecular weight of 228.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone is sourced from PubChem (CID 139467477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).