N-hydroxy-3-[4-[5-(4-methoxyphenyl)-3-methylimidazol-4-yl]phenyl]prop-2-enamide;hydrochloride

C20H20ClN3O3 — CID 130201939

IUPACN-hydroxy-3-[4-[5-(4-methoxyphenyl)-3-methylimidazol-4-yl]phenyl]prop-2-enamide;hydrochloride
SMILESCOc1ccc(-c2ncn(C)c2-c2ccc(C=CC(=O)NO)cc2)cc1.Cl
InChIInChI=1S/C20H19N3O3.ClH/c1-23-13-21-19(15-8-10-17(26-2)11-9-15)20(23)16-6-3-14(4-7-16)5-12-18(24)22-25;/h3-13,25H,1-2H3,(H,22,24);1H
InChIKeyUVWQQKROIKZLEP-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.70
Rot. Bonds5

About N-hydroxy-3-[4-[5-(4-methoxyphenyl)-3-methylimidazol-4-yl]phenyl]prop-2-enamide;hydrochloride

N-hydroxy-3-[4-[5-(4-methoxyphenyl)-3-methylimidazol-4-yl]phenyl]prop-2-enamide;hydrochloride (PubChem CID 130201939) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-hydroxy-3-[4-[5-(4-methoxyphenyl)-3-methylimidazol-4-yl]phenyl]prop-2-enamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-3-[4-[5-(4-methoxyphenyl)-3-methylimidazol-4-yl]phenyl]prop-2-enamide;hydrochloride
PubChem CID130201939
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-hydroxy-3-[4-[5-(4-methoxyphenyl)-3-methylimidazol-4-yl]phenyl]prop-2-enamide;hydrochloride
SMILESCOc1ccc(-c2ncn(C)c2-c2ccc(C=CC(=O)NO)cc2)cc1.Cl
InChIInChI=1S/C20H19N3O3.ClH/c1-23-13-21-19(15-8-10-17(26-2)11-9-15)20(23)16-6-3-14(4-7-16)5-12-18(24)22-25;/h3-13,25H,1-2H3,(H,22,24);1H
InChIKeyUVWQQKROIKZLEP-UHFFFAOYSA-N
XLogP3.70
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.70
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 N-hydroxy-3-[4-[5-(4-methoxyphenyl)-3-methylimidazol-4-yl]phenyl]prop-2-enamide;hydrochloride?
The IUPAC name of N-hydroxy-3-[4-[5-(4-methoxyphenyl)-3-methylimidazol-4-yl]phenyl]prop-2-enamide;hydrochloride (CID 130201939) is N-hydroxy-3-[4-[5-(4-methoxyphenyl)-3-methylimidazol-4-yl]phenyl]prop-2-enamide;hydrochloride.
What is the SMILES notation for N-hydroxy-3-[4-[5-(4-methoxyphenyl)-3-methylimidazol-4-yl]phenyl]prop-2-enamide;hydrochloride?
The canonical SMILES for N-hydroxy-3-[4-[5-(4-methoxyphenyl)-3-methylimidazol-4-yl]phenyl]prop-2-enamide;hydrochloride is COc1ccc(-c2ncn(C)c2-c2ccc(C=CC(=O)NO)cc2)cc1.Cl.
What is the InChIKey of N-hydroxy-3-[4-[5-(4-methoxyphenyl)-3-methylimidazol-4-yl]phenyl]prop-2-enamide;hydrochloride?
The InChIKey is UVWQQKROIKZLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3.ClH/c1-23-13-21-19(15-8-10-17(26-2)11-9-15)20(23)16-6-3-14(4-7-16)5-12-18(24)22-25;/h3-13,25H,1-2H3,(H,22,24);1H.
What are the key properties of N-hydroxy-3-[4-[5-(4-methoxyphenyl)-3-methylimidazol-4-yl]phenyl]prop-2-enamide;hydrochloride?
N-hydroxy-3-[4-[5-(4-methoxyphenyl)-3-methylimidazol-4-yl]phenyl]prop-2-enamide;hydrochloride has a molecular weight of 385.85 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-[5-(4-methoxyphenyl)-3-methylimidazol-4-yl]phenyl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 130201939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).