(E)-3-[4-[3-ethyl-5-(4-methoxyphenyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide

C21H21N3O3 — CID 130227480

IUPAC(E)-3-[4-[3-ethyl-5-(4-methoxyphenyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCn1cnc(-c2ccc(OC)cc2)c1-c1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C21H21N3O3/c1-3-24-14-22-20(16-9-11-18(27-2)12-10-16)21(24)17-7-4-15(5-8-17)6-13-19(25)23-26/h4-14,26H,3H2,1-2H3,(H,23,25)/b13-6+
InChIKeyJRABOCDIAYUFQB-AWNIVKPZSA-N
MW363.42 g/mol
LogP3.76
Rot. Bonds6

About (E)-3-[4-[3-ethyl-5-(4-methoxyphenyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[3-ethyl-5-(4-methoxyphenyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 130227480) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (E)-3-[4-[3-ethyl-5-(4-methoxyphenyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[3-ethyl-5-(4-methoxyphenyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID130227480
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(E)-3-[4-[3-ethyl-5-(4-methoxyphenyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCn1cnc(-c2ccc(OC)cc2)c1-c1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C21H21N3O3/c1-3-24-14-22-20(16-9-11-18(27-2)12-10-16)21(24)17-7-4-15(5-8-17)6-13-19(25)23-26/h4-14,26H,3H2,1-2H3,(H,23,25)/b13-6+
InChIKeyJRABOCDIAYUFQB-AWNIVKPZSA-N
XLogP3.76
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[3-ethyl-5-(4-methoxyphenyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[3-ethyl-5-(4-methoxyphenyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide (CID 130227480) is (E)-3-[4-[3-ethyl-5-(4-methoxyphenyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[3-ethyl-5-(4-methoxyphenyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[3-ethyl-5-(4-methoxyphenyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide is CCn1cnc(-c2ccc(OC)cc2)c1-c1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-3-[4-[3-ethyl-5-(4-methoxyphenyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is JRABOCDIAYUFQB-AWNIVKPZSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-24-14-22-20(16-9-11-18(27-2)12-10-16)21(24)17-7-4-15(5-8-17)6-13-19(25)23-26/h4-14,26H,3H2,1-2H3,(H,23,25)/b13-6+.
What are the key properties of (E)-3-[4-[3-ethyl-5-(4-methoxyphenyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[3-ethyl-5-(4-methoxyphenyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 363.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[3-ethyl-5-(4-methoxyphenyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 130227480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).