(E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide

C13H14N4O — CID 113290978

IUPAC(E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NCc2cnc[nH]2)cc1
InChIInChI=1S/C13H14N4O/c14-11-4-1-10(2-5-11)3-6-13(18)16-8-12-7-15-9-17-12/h1-7,9H,8,14H2,(H,15,17)(H,16,18)/b6-3+
InChIKeyNZMUIDKBOJEECS-ZZXKWVIFSA-N
MW242.28 g/mol
LogP1.32
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide (PubChem CID 113290978) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
PubChem CID113290978
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name(E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NCc2cnc[nH]2)cc1
InChIInChI=1S/C13H14N4O/c14-11-4-1-10(2-5-11)3-6-13(18)16-8-12-7-15-9-17-12/h1-7,9H,8,14H2,(H,15,17)(H,16,18)/b6-3+
InChIKeyNZMUIDKBOJEECS-ZZXKWVIFSA-N
XLogP1.32
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide with MolForge

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

Launch Full Analysis

Related Compounds

(E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 115344385
N-(1H-imidazol-5-ylmethyl)but-2-enamide
CID 77075616
3-(2-bromophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
CID 77075664
3-(2,4-dichlorophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
CID 77075438
N-(1H-imidazol-5-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 77075428
(E)-3-(4-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
CID 114181941
(E)-3-(4-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide
CID 115344050
N-(1H-imidazol-5-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 77075442
(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 84557574
(E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 84555657
(E)-3-(4-aminophenyl)-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide
CID 113290891
N-(1H-imidazol-5-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 77075635

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide (CID 113290978) is (E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide is Nc1ccc(/C=C/C(=O)NCc2cnc[nH]2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide?
The InChIKey is NZMUIDKBOJEECS-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H14N4O/c14-11-4-1-10(2-5-11)3-6-13(18)16-8-12-7-15-9-17-12/h1-7,9H,8,14H2,(H,15,17)(H,16,18)/b6-3+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide has a molecular weight of 242.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide is sourced from PubChem (CID 113290978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).