N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N-methylprop-2-enamide

C15H17N3O — CID 166407024

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)Cc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C15H17N3O/c1-3-15(19)17(2)10-13-4-6-14(7-5-13)11-18-9-8-16-12-18/h3-9,12H,1,10-11H2,2H3
InChIKeyNZQCWJZPCBFDOD-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.08
Rot. Bonds5

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N-methylprop-2-enamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N-methylprop-2-enamide (PubChem CID 166407024) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N-methylprop-2-enamide
PubChem CID166407024
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)Cc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C15H17N3O/c1-3-15(19)17(2)10-13-4-6-14(7-5-13)11-18-9-8-16-12-18/h3-9,12H,1,10-11H2,2H3
InChIKeyNZQCWJZPCBFDOD-UHFFFAOYSA-N
XLogP2.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(imidazol-1-ylmethyl)benzoate
CID 42555847
sodium;hydride;(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
CID 173012997
1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 110951259
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-methylurea
CID 155956812
(4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 171357643
[4-(imidazol-1-ylmethyl)phenyl]methyl hydrogen carbonate
CID 137392132
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
(E)-4-[4-(imidazol-1-ylmethyl)phenyl]but-3-en-1-ol
CID 70049349
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
N-[4-(imidazol-1-ylmethyl)phenyl]methanimine
CID 123643271

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N-methylprop-2-enamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N-methylprop-2-enamide (CID 166407024) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N-methylprop-2-enamide is C=CC(=O)N(C)Cc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N-methylprop-2-enamide?
The InChIKey is NZQCWJZPCBFDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-15(19)17(2)10-13-4-6-14(7-5-13)11-18-9-8-16-12-18/h3-9,12H,1,10-11H2,2H3.
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N-methylprop-2-enamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N-methylprop-2-enamide has a molecular weight of 255.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 166407024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).