4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide

C20H20N4O2 — CID 166327124

IUPAC4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide
SMILESCc1ncn(-c2ccc(NC(=O)c3ccc(CC(N)=O)cc3)cc2)c1C
InChIInChI=1S/C20H20N4O2/c1-13-14(2)24(12-22-13)18-9-7-17(8-10-18)23-20(26)16-5-3-15(4-6-16)11-19(21)25/h3-10,12H,11H2,1-2H3,(H2,21,25)(H,23,26)
InChIKeyMRAHPUHWIKCSAB-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.77
Rot. Bonds5

About 4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide

4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide (PubChem CID 166327124) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide
PubChem CID166327124
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide
SMILESCc1ncn(-c2ccc(NC(=O)c3ccc(CC(N)=O)cc3)cc2)c1C
InChIInChI=1S/C20H20N4O2/c1-13-14(2)24(12-22-13)18-9-7-17(8-10-18)23-20(26)16-5-3-15(4-6-16)11-19(21)25/h3-10,12H,11H2,1-2H3,(H2,21,25)(H,23,26)
InChIKeyMRAHPUHWIKCSAB-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

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 166215479
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
CID 166215679
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 166340595
3-[2-[4-(4,5-dimethylimidazol-1-yl)anilino]-2-oxoethyl]benzamide
CID 166350114
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide
CID 166327019
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3,5-difluoro-4-(hydroxymethyl)benzamide
CID 166327111
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166215878
5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166197115
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-ethyl-1,3-oxazole-5-carboxamide
CID 166340631
3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide
CID 166327066

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide (CID 166327124) is 4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide is Cc1ncn(-c2ccc(NC(=O)c3ccc(CC(N)=O)cc3)cc2)c1C.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide?
The InChIKey is MRAHPUHWIKCSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-14(2)24(12-22-13)18-9-7-17(8-10-18)23-20(26)16-5-3-15(4-6-16)11-19(21)25/h3-10,12H,11H2,1-2H3,(H2,21,25)(H,23,26).
What are the key properties of 4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide?
4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]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 4-(2-amino-2-oxoethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 166327124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).