N-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide

C14H15N3O2 — CID 102114892

IUPACN-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1/C=C1\N=C(C)N(C)C1=O
InChIInChI=1S/C14H15N3O2/c1-9-15-13(14(19)17(9)3)8-11-6-4-5-7-12(11)16-10(2)18/h4-8H,1-3H3,(H,16,18)/b13-8-
InChIKeyWIAKRADGKUAVIJ-JYRVWZFOSA-N
MW257.29 g/mol
LogP1.88
Rot. Bonds2

About N-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide

N-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide (PubChem CID 102114892) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide
PubChem CID102114892
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1/C=C1\N=C(C)N(C)C1=O
InChIInChI=1S/C14H15N3O2/c1-9-15-13(14(19)17(9)3)8-11-6-4-5-7-12(11)16-10(2)18/h4-8H,1-3H3,(H,16,18)/b13-8-
InChIKeyWIAKRADGKUAVIJ-JYRVWZFOSA-N
XLogP1.88
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide (CID 102114892) is N-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide is CC(=O)Nc1ccccc1/C=C1\N=C(C)N(C)C1=O.
What is the InChIKey of N-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide?
The InChIKey is WIAKRADGKUAVIJ-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-15-13(14(19)17(9)3)8-11-6-4-5-7-12(11)16-10(2)18/h4-8H,1-3H3,(H,16,18)/b13-8-.
What are the key properties of N-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide?
N-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide has a molecular weight of 257.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide is sourced from PubChem (CID 102114892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).