2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide

C15H18N4O2 — CID 166215851

IUPAC2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
SMILESCC(=O)NCC(=O)Nc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C15H18N4O2/c1-10-11(2)19(9-17-10)14-6-4-13(5-7-14)18-15(21)8-16-12(3)20/h4-7,9H,8H2,1-3H3,(H,16,20)(H,18,21)
InChIKeyXTJWSGMAQIVMHH-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.56
Rot. Bonds4

About 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide

2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide (PubChem CID 166215851) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
PubChem CID166215851
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
SMILESCC(=O)NCC(=O)Nc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C15H18N4O2/c1-10-11(2)19(9-17-10)14-6-4-13(5-7-14)18-15(21)8-16-12(3)20/h4-7,9H,8H2,1-3H3,(H,16,20)(H,18,21)
InChIKeyXTJWSGMAQIVMHH-UHFFFAOYSA-N
XLogP1.56
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
CID 166215458
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide
CID 166215906
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide
CID 166215428
3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 166215461
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]butanamide
CID 166248907
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-hydroxy-2,2-dimethylpropanamide
CID 166241383
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide
CID 166278287
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2-methoxyethoxy)propanamide
CID 166215727
3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide
CID 166350114

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide (CID 166215851) is 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide is CC(=O)NCC(=O)Nc1ccc(-n2cnc(C)c2C)cc1.
What is the InChIKey of 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide?
The InChIKey is XTJWSGMAQIVMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-11(2)19(9-17-10)14-6-4-13(5-7-14)18-15(21)8-16-12(3)20/h4-7,9H,8H2,1-3H3,(H,16,20)(H,18,21).
What are the key properties of 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide?
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide has a molecular weight of 286.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 166215851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).