N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide

C15H20N4O — CID 82559432

IUPACN-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccn2CCN(C)C)c1
InChIInChI=1S/C15H20N4O/c1-12(20)17-14-6-4-5-13(11-14)15-16-7-8-19(15)10-9-18(2)3/h4-8,11H,9-10H2,1-3H3,(H,17,20)
InChIKeyOKXNXMWJWUTGQC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.07
Rot. Bonds5

About N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide

N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide (PubChem CID 82559432) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide
PubChem CID82559432
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccn2CCN(C)C)c1
InChIInChI=1S/C15H20N4O/c1-12(20)17-14-6-4-5-13(11-14)15-16-7-8-19(15)10-9-18(2)3/h4-8,11H,9-10H2,1-3H3,(H,17,20)
InChIKeyOKXNXMWJWUTGQC-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3-acetamidophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82559468
2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide
CID 119896318
N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]phenyl]acetamide
CID 82559472
2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119896317
1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111453463
3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride
CID 119896331
N-[3-(1-propylimidazol-2-yl)phenyl]-3-pyridin-2-ylpropanamide
CID 75427147
N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide
CID 82559349
methyl 2-[2-(3-acetamidophenyl)imidazol-1-yl]propanoate
CID 82559442
N-[3-[2-[2-(dimethylamino)ethyl]-5-oxo-1H-pyrazol-4-yl]phenyl]acetamide
CID 11173743
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 62564926

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide (CID 82559432) is N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nccn2CCN(C)C)c1.
What is the InChIKey of N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide?
The InChIKey is OKXNXMWJWUTGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12(20)17-14-6-4-5-13(11-14)15-16-7-8-19(15)10-9-18(2)3/h4-8,11H,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide?
N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 82559432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).