N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide

C15H19N3O — CID 3274730

IUPACN-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCCCn2ccnc2)c1C
InChIInChI=1S/C15H19N3O/c1-12-5-3-6-14(13(12)2)15(19)17-7-4-9-18-10-8-16-11-18/h3,5-6,8,10-11H,4,7,9H2,1-2H3,(H,17,19)
InChIKeyWYBHGHMWEQLXFM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.32
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide

N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide (PubChem CID 3274730) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
PubChem CID3274730
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCCCn2ccnc2)c1C
InChIInChI=1S/C15H19N3O/c1-12-5-3-6-14(13(12)2)15(19)17-7-4-9-18-10-8-16-11-18/h3,5-6,8,10-11H,4,7,9H2,1-2H3,(H,17,19)
InChIKeyWYBHGHMWEQLXFM-UHFFFAOYSA-N
XLogP2.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.32
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

2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3145465
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55134426
N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
CID 3766728
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride
CID 3000011
N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide
CID 22139224
N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51155778

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide (CID 3274730) is N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide is Cc1cccc(C(=O)NCCCn2ccnc2)c1C.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide?
The InChIKey is WYBHGHMWEQLXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-5-3-6-14(13(12)2)15(19)17-7-4-9-18-10-8-16-11-18/h3,5-6,8,10-11H,4,7,9H2,1-2H3,(H,17,19).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide?
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide has a molecular weight of 257.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide is sourced from PubChem (CID 3274730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).