3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide

C20H20N4O2 — CID 166350114

IUPAC3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide
SMILESCc1ncn(-c2ccc(NC(=O)Cc3cccc(C(N)=O)c3)cc2)c1C
InChIInChI=1S/C20H20N4O2/c1-13-14(2)24(12-22-13)18-8-6-17(7-9-18)23-19(25)11-15-4-3-5-16(10-15)20(21)26/h3-10,12H,11H2,1-2H3,(H2,21,26)(H,23,25)
InChIKeyKOKKCSAVVBXLSR-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.77
Rot. Bonds5

About 3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide

3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide (PubChem CID 166350114) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide
PubChem CID166350114
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide
SMILESCc1ncn(-c2ccc(NC(=O)Cc3cccc(C(N)=O)c3)cc2)c1C
InChIInChI=1S/C20H20N4O2/c1-13-14(2)24(12-22-13)18-8-6-17(7-9-18)23-19(25)11-15-4-3-5-16(10-15)20(21)26/h3-10,12H,11H2,1-2H3,(H2,21,26)(H,23,25)
InChIKeyKOKKCSAVVBXLSR-UHFFFAOYSA-N
XLogP2.77
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide
CID 166327124
3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122
2-acetamido-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 166215851
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]propanamide
CID 166215458
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 166350115
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166215878
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]-4-methylpentanamide
CID 166215906
N'-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-ethyl-2-methylpropanediamide
CID 166305029
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122307152
1-benzyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]triazole-4-carboxamide
CID 166215914
N-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 166215461

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide (CID 166350114) is 3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide is Cc1ncn(-c2ccc(NC(=O)Cc3cccc(C(N)=O)c3)cc2)c1C.
What is the InChIKey of 3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide?
The InChIKey is KOKKCSAVVBXLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-14(2)24(12-22-13)18-8-6-17(7-9-18)23-19(25)11-15-4-3-5-16(10-15)20(21)26/h3-10,12H,11H2,1-2H3,(H2,21,26)(H,23,25).
What are the key properties of 3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide?
3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 166350114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).