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

C14H18N4O — CID 134708040

IUPAC3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide
SMILESCN(C)Cc1cccc(C(=O)Nc2nccn2C)c1
InChIInChI=1S/C14H18N4O/c1-17(2)10-11-5-4-6-12(9-11)13(19)16-14-15-7-8-18(14)3/h4-9H,10H2,1-3H3,(H,15,16,19)
InChIKeySDQNQOBDHOPLEY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.73
Rot. Bonds4

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

3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide (PubChem CID 134708040) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide
PubChem CID134708040
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide
SMILESCN(C)Cc1cccc(C(=O)Nc2nccn2C)c1
InChIInChI=1S/C14H18N4O/c1-17(2)10-11-5-4-6-12(9-11)13(19)16-14-15-7-8-18(14)3/h4-9H,10H2,1-3H3,(H,15,16,19)
InChIKeySDQNQOBDHOPLEY-UHFFFAOYSA-N
XLogP1.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide
CID 95224048
3-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-(1-methylimidazol-2-yl)benzamide
CID 56702642
N-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 86932107
N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide
CID 84613744
3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953
3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 57327086
4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide
CID 21109027
1,1-dimethyl-3-(1-methylimidazol-2-yl)urea
CID 110470347
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
CID 177345259
1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide
CID 110471391
3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide
CID 131043350
3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide
CID 119041971

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide (CID 134708040) is 3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide is CN(C)Cc1cccc(C(=O)Nc2nccn2C)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide?
The InChIKey is SDQNQOBDHOPLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17(2)10-11-5-4-6-12(9-11)13(19)16-14-15-7-8-18(14)3/h4-9H,10H2,1-3H3,(H,15,16,19).
What are the key properties of 3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide?
3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide is sourced from PubChem (CID 134708040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).