N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide

C18H17N3O — CID 99532175

IUPACN-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide
SMILESCc1cccc(NC(=O)c2cccc(-n3ccnc3)c2)c1C
InChIInChI=1S/C18H17N3O/c1-13-5-3-8-17(14(13)2)20-18(22)15-6-4-7-16(11-15)21-10-9-19-12-21/h3-12H,1-2H3,(H,20,22)
InChIKeyDLPVKZSPHAJSHF-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.74
Rot. Bonds3

About N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide

N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide (PubChem CID 99532175) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide
PubChem CID99532175
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide
SMILESCc1cccc(NC(=O)c2cccc(-n3ccnc3)c2)c1C
InChIInChI=1S/C18H17N3O/c1-13-5-3-8-17(14(13)2)20-18(22)15-6-4-7-16(11-15)21-10-9-19-12-21/h3-12H,1-2H3,(H,20,22)
InChIKeyDLPVKZSPHAJSHF-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 99540046
3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide
CID 155948039
N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 7733040
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
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N-(2,3-dimethylphenyl)-3-[(1S,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 11947183
4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide
CID 167847611
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 37064847
1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
N-[3-[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]-1-methylpyrazol-4-yl]-3-imidazol-1-ylbenzamide
CID 118061569
N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide
CID 111425601

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide (CID 99532175) is N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide is Cc1cccc(NC(=O)c2cccc(-n3ccnc3)c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide?
The InChIKey is DLPVKZSPHAJSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-5-3-8-17(14(13)2)20-18(22)15-6-4-7-16(11-15)21-10-9-19-12-21/h3-12H,1-2H3,(H,20,22).
What are the key properties of N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide?
N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide has a molecular weight of 291.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide is sourced from PubChem (CID 99532175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).