3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

C15H21N5O — CID 61115484

IUPAC3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCN(Cc1nccn1C)C(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C15H21N5O/c1-18(2)13-6-5-11(9-12(13)16)15(21)20(4)10-14-17-7-8-19(14)3/h5-9H,10,16H2,1-4H3
InChIKeyDTKJULWTZJMBLQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.34
Rot. Bonds4

About 3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 61115484) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID61115484
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCN(Cc1nccn1C)C(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C15H21N5O/c1-18(2)13-6-5-11(9-12(13)16)15(21)20(4)10-14-17-7-8-19(14)3/h5-9H,10,16H2,1-4H3
InChIKeyDTKJULWTZJMBLQ-UHFFFAOYSA-N
XLogP1.34
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 61115484) is 3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is CN(Cc1nccn1C)C(=O)c1ccc(N(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is DTKJULWTZJMBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-18(2)13-6-5-11(9-12(13)16)15(21)20(4)10-14-17-7-8-19(14)3/h5-9H,10,16H2,1-4H3.
What are the key properties of 3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 287.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 61115484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).