4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide

C17H23N3O — CID 159360162

IUPAC4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide
SMILESCCCCCc1cn(C)c(NC(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C17H23N3O/c1-4-5-6-7-15-12-20(3)17(18-15)19-16(21)14-10-8-13(2)9-11-14/h8-12H,4-7H2,1-3H3,(H,18,19,21)
InChIKeyYOUUCHMYTROSEW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.71
Rot. Bonds6

About 4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide

4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide (PubChem CID 159360162) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide
PubChem CID159360162
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide
SMILESCCCCCc1cn(C)c(NC(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C17H23N3O/c1-4-5-6-7-15-12-20(3)17(18-15)19-16(21)14-10-8-13(2)9-11-14/h8-12H,4-7H2,1-3H3,(H,18,19,21)
InChIKeyYOUUCHMYTROSEW-UHFFFAOYSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-4-octylimidazole
CID 118062821
N'-butyl-4-methylbenzohydrazide
CID 118418346
2,4-didecyl-1-methylimidazole
CID 68813551
2-methyl-4-undecylimidazole-1-carboxylic acid
CID 150630296
4-chloro-N-[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 142448268
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 1338053
4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide
CID 59001405
N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hexylbenzamide
CID 42658273
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-4-hexylbenzamide
CID 42732625
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide?
The IUPAC name of 4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide (CID 159360162) is 4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide?
The canonical SMILES for 4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide is CCCCCc1cn(C)c(NC(=O)c2ccc(C)cc2)n1.
What is the InChIKey of 4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide?
The InChIKey is YOUUCHMYTROSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-5-6-7-15-12-20(3)17(18-15)19-16(21)14-10-8-13(2)9-11-14/h8-12H,4-7H2,1-3H3,(H,18,19,21).
What are the key properties of 4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide?
4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide has a molecular weight of 285.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methyl-4-pentylimidazol-2-yl)benzamide is sourced from PubChem (CID 159360162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).