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

C15H20N4O — CID 110473260

IUPAC3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(N(C)C)c1)c1nccn1C
InChIInChI=1S/C15H20N4O/c1-11(14-16-8-9-19(14)4)17-15(20)12-6-5-7-13(10-12)18(2)3/h5-11H,1-4H3,(H,17,20)
InChIKeyYMHQTNBFDWBEPW-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.98
Rot. Bonds4

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

3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide (PubChem CID 110473260) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
PubChem CID110473260
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(N(C)C)c1)c1nccn1C
InChIInChI=1S/C15H20N4O/c1-11(14-16-8-9-19(14)4)17-15(20)12-6-5-7-13(10-12)18(2)3/h5-11H,1-4H3,(H,17,20)
InChIKeyYMHQTNBFDWBEPW-UHFFFAOYSA-N
XLogP1.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
CID 110474410
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 110429573
2-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
CID 110473331
3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91760968
[3-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methanol
CID 105098831
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110429479
3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787497
3-(dimethylamino)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 37354866
3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427767
N-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide
CID 166874738

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide (CID 110473260) is 3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide is CC(NC(=O)c1cccc(N(C)C)c1)c1nccn1C.
What is the InChIKey of 3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide?
The InChIKey is YMHQTNBFDWBEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(14-16-8-9-19(14)4)17-15(20)12-6-5-7-13(10-12)18(2)3/h5-11H,1-4H3,(H,17,20).
What are the key properties of 3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide?
3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide has a molecular weight of 272.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110473260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).