2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide

C15H20N4O — CID 110463562

IUPAC2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCN(C)c1ccccc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H20N4O/c1-18(2)14-7-4-3-6-13(14)15(20)17-8-5-10-19-11-9-16-12-19/h3-4,6-7,9,11-12H,5,8,10H2,1-2H3,(H,17,20)
InChIKeyHJPGHTVVRVZEKW-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.77
Rot. Bonds6

About 2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide

2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 110463562) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID110463562
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCN(C)c1ccccc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C15H20N4O/c1-18(2)14-7-4-3-6-13(14)15(20)17-8-5-10-19-11-9-16-12-19/h3-4,6-7,9,11-12H,5,8,10H2,1-2H3,(H,17,20)
InChIKeyHJPGHTVVRVZEKW-UHFFFAOYSA-N
XLogP1.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028
N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55134426
2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 2929720
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
N-(3-imidazol-1-ylpropyl)-1,3-benzodioxole-4-carboxamide
CID 22355406
N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
CID 3766728
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide (CID 110463562) is 2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide is CN(C)c1ccccc1C(=O)NCCCn1ccnc1.
What is the InChIKey of 2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is HJPGHTVVRVZEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18(2)14-7-4-3-6-13(14)15(20)17-8-5-10-19-11-9-16-12-19/h3-4,6-7,9,11-12H,5,8,10H2,1-2H3,(H,17,20).
What are the key properties of 2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide?
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 272.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 110463562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).