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

C15H20N4O — CID 110473331

IUPAC2-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1N(C)C)c1nccn1C
InChIInChI=1S/C15H20N4O/c1-11(14-16-9-10-19(14)4)17-15(20)12-7-5-6-8-13(12)18(2)3/h5-11H,1-4H3,(H,17,20)
InChIKeyGEQJJLLSUPUWLD-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.98
Rot. Bonds4

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

2-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide (PubChem CID 110473331) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
PubChem CID110473331
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1N(C)C)c1nccn1C
InChIInChI=1S/C15H20N4O/c1-11(14-16-9-10-19(14)4)17-15(20)12-7-5-6-8-13(12)18(2)3/h5-11H,1-4H3,(H,17,20)
InChIKeyGEQJJLLSUPUWLD-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-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
CID 110473260
3-amino-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
CID 110474410
2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]-2-phenylpropanamide
CID 110473236
(2R)-N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]propanamide
CID 103914492
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]benzoic acid
CID 60941368
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 39974772
1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea
CID 110473515
2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid
CID 110463513
S-[(S)-(1-methylimidazol-2-yl)-phenylmethyl] N,N-dimethylcarbamothioate
CID 139191053
2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473301
2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 38885280
2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25339816

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide (CID 110473331) is 2-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide is CC(NC(=O)c1ccccc1N(C)C)c1nccn1C.
What is the InChIKey of 2-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide?
The InChIKey is GEQJJLLSUPUWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(14-16-9-10-19(14)4)17-15(20)12-7-5-6-8-13(12)18(2)3/h5-11H,1-4H3,(H,17,20).
What are the key properties of 2-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide?
2-(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 2-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110473331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).