2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide

C15H20N4O — CID 82558377

IUPAC2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1ccnc1Cc1ccc(N(C)C)cc1
InChIInChI=1S/C15H20N4O/c1-16-15(20)11-19-9-8-17-14(19)10-12-4-6-13(7-5-12)18(2)3/h4-9H,10-11H2,1-3H3,(H,16,20)
InChIKeyDOIWJVZYEYKYOI-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.29
Rot. Bonds5

About 2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide

2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide (PubChem CID 82558377) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide
PubChem CID82558377
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1ccnc1Cc1ccc(N(C)C)cc1
InChIInChI=1S/C15H20N4O/c1-16-15(20)11-19-9-8-17-14(19)10-12-4-6-13(7-5-12)18(2)3/h4-9H,10-11H2,1-3H3,(H,16,20)
InChIKeyDOIWJVZYEYKYOI-UHFFFAOYSA-N
XLogP1.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]acetic acid
CID 82560223
2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide
CID 82558055
2-[[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]methyl]benzoic acid
CID 82560231
N-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide
CID 82558127
2-(2-formylimidazol-1-yl)-N-methylacetamide
CID 62222272
2-[2-[(4-aminophenyl)methyl]imidazol-1-yl]acetic acid
CID 82558589
1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one
CID 138526725
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79738825
N-methyl-2-(2-nitroimidazol-1-yl)acetamide
CID 20667794
1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738325
methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate
CID 82561099
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide (CID 82558377) is 2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide is CNC(=O)Cn1ccnc1Cc1ccc(N(C)C)cc1.
What is the InChIKey of 2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide?
The InChIKey is DOIWJVZYEYKYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-16-15(20)11-19-9-8-17-14(19)10-12-4-6-13(7-5-12)18(2)3/h4-9H,10-11H2,1-3H3,(H,16,20).
What are the key properties of 2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide?
2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide has a molecular weight of 272.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 82558377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).