ethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide

C20H23N3O — CID 145409289

IUPACethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide
SMILESCC.Cc1cccc(C(=O)Nc2ncc(-c3ccccc3)n2C)c1
InChIInChI=1S/C18H17N3O.C2H6/c1-13-7-6-10-15(11-13)17(22)20-18-19-12-16(21(18)2)14-8-4-3-5-9-14;1-2/h3-12H,1-2H3,(H,19,20,22);1-2H3
InChIKeyZNQAAFJYFFUVAN-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.67
Rot. Bonds3

About ethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide

ethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide (PubChem CID 145409289) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is ethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide.

Molecular Properties

Compound Nameethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide
PubChem CID145409289
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Nameethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide
SMILESCC.Cc1cccc(C(=O)Nc2ncc(-c3ccccc3)n2C)c1
InChIInChI=1S/C18H17N3O.C2H6/c1-13-7-6-10-15(11-13)17(22)20-18-19-12-16(21(18)2)14-8-4-3-5-9-14;1-2/h3-12H,1-2H3,(H,19,20,22);1-2H3
InChIKeyZNQAAFJYFFUVAN-UHFFFAOYSA-N
XLogP4.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-3-nitrobenzamide
CID 3561615
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 1096852
N-(1-methyl-5-phenylimidazol-2-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 154681674
N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-nitrobenzamide
CID 5008870
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-2-yloxybenzamide
CID 154681699
1-(2,4-dimethoxyphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea
CID 22577919
N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide
CID 154681643
N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 3634035
N-(1,6-dimethylbenzimidazol-2-yl)benzamide
CID 12035464
3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 828309
3-[[acetyl(propyl)amino]methyl]-N-[5-(4-bromo-3-methylphenyl)-1-methylimidazol-2-yl]benzamide
CID 154681712

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide?
The IUPAC name of ethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide (CID 145409289) is ethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide.
What is the SMILES notation for ethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide?
The canonical SMILES for ethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide is CC.Cc1cccc(C(=O)Nc2ncc(-c3ccccc3)n2C)c1.
What is the InChIKey of ethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide?
The InChIKey is ZNQAAFJYFFUVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O.C2H6/c1-13-7-6-10-15(11-13)17(22)20-18-19-12-16(21(18)2)14-8-4-3-5-9-14;1-2/h3-12H,1-2H3,(H,19,20,22);1-2H3.
What are the key properties of ethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide?
ethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide has a molecular weight of 321.42 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide is sourced from PubChem (CID 145409289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).