4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide

C20H17N3O2 — CID 167847611

IUPAC4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide
SMILESCc1cc(-n2ccnc2)ccc1C(=O)Nc1cccc2c1CCC2=O
InChIInChI=1S/C20H17N3O2/c1-13-11-14(23-10-9-21-12-23)5-6-15(13)20(25)22-18-4-2-3-17-16(18)7-8-19(17)24/h2-6,9-12H,7-8H2,1H3,(H,22,25)
InChIKeyJEZRDTDDFJWWSH-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.56
Rot. Bonds3

About 4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide

4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide (PubChem CID 167847611) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide
PubChem CID167847611
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide
SMILESCc1cc(-n2ccnc2)ccc1C(=O)Nc1cccc2c1CCC2=O
InChIInChI=1S/C20H17N3O2/c1-13-11-14(23-10-9-21-12-23)5-6-15(13)20(25)22-18-4-2-3-17-16(18)7-8-19(17)24/h2-6,9-12H,7-8H2,1H3,(H,22,25)
InChIKeyJEZRDTDDFJWWSH-UHFFFAOYSA-N
XLogP3.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide
CID 99532175
4-imidazol-1-yl-2-methylbenzamide
CID 81276047
N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
CID 23044294
3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide
CID 99540046
N-(2-aminophenyl)-4-imidazol-1-ylbenzamide
CID 110484015
N-(2-imidazol-1-ylphenyl)-4-methylbenzamide
CID 12911544
3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide
CID 155948039
4-imidazol-1-yl-2-methylaniline
CID 14450260
3-imidazol-1-yl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide
CID 166209656
[2-(2-methylanilino)-2-oxoethyl] 4-imidazol-1-ylbenzoate
CID 75434284
N-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 176577918
1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
CID 167794491

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide?
The IUPAC name of 4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide (CID 167847611) is 4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide.
What is the SMILES notation for 4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide?
The canonical SMILES for 4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide is Cc1cc(-n2ccnc2)ccc1C(=O)Nc1cccc2c1CCC2=O.
What is the InChIKey of 4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide?
The InChIKey is JEZRDTDDFJWWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-13-11-14(23-10-9-21-12-23)5-6-15(13)20(25)22-18-4-2-3-17-16(18)7-8-19(17)24/h2-6,9-12H,7-8H2,1H3,(H,22,25).
What are the key properties of 4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide?
4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide has a molecular weight of 331.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide is sourced from PubChem (CID 167847611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).