3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide

C15H19N3O2 — CID 114485990

IUPAC3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C15H19N3O2/c1-10(2)18-7-6-17(15(18)20)9-13-5-4-12(14(16)19)8-11(13)3/h4-8,10H,9H2,1-3H3,(H2,16,19)
InChIKeyASCQXGZPDKWZBB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.69
Rot. Bonds4

About 3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide

3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide (PubChem CID 114485990) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide
PubChem CID114485990
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C15H19N3O2/c1-10(2)18-7-6-17(15(18)20)9-13-5-4-12(14(16)19)8-11(13)3/h4-8,10H,9H2,1-3H3,(H2,16,19)
InChIKeyASCQXGZPDKWZBB-UHFFFAOYSA-N
XLogP1.69
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 114485936
4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide
CID 114561799
1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581295
4-fluoro-2-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzenecarbothioamide
CID 80581093
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide
CID 114485945
4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide
CID 114485978
3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide
CID 102670427
3-methyl-4-(2-methyl-3-oxobutyl)benzamide
CID 23442295
3-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzoic acid
CID 80579774
3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930123
(4-carbamoyl-2-methylphenyl)methanesulfinate
CID 70670718

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide?
The IUPAC name of 3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide (CID 114485990) is 3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for 3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide?
The canonical SMILES for 3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide is Cc1cc(C(N)=O)ccc1Cn1ccn(C(C)C)c1=O.
What is the InChIKey of 3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide?
The InChIKey is ASCQXGZPDKWZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)18-7-6-17(15(18)20)9-13-5-4-12(14(16)19)8-11(13)3/h4-8,10H,9H2,1-3H3,(H2,16,19).
What are the key properties of 3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide?
3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 114485990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).