(E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide

C22H23N3O2 — CID 11360420

IUPAC(E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1nc(-c2cccc(/C=C/C(=O)NO)c2)n(CCc2ccccc2)c1C
InChIInChI=1S/C22H23N3O2/c1-16-17(2)25(14-13-18-7-4-3-5-8-18)22(23-16)20-10-6-9-19(15-20)11-12-21(26)24-27/h3-12,15,27H,13-14H2,1-2H3,(H,24,26)/b12-11+
InChIKeyMDWBJFGCVLUCHD-VAWYXSNFSA-N
MW361.45 g/mol
LogP3.93
Rot. Bonds6

About (E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 11360420) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID11360420
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1nc(-c2cccc(/C=C/C(=O)NO)c2)n(CCc2ccccc2)c1C
InChIInChI=1S/C22H23N3O2/c1-16-17(2)25(14-13-18-7-4-3-5-8-18)22(23-16)20-10-6-9-19(15-20)11-12-21(26)24-27/h3-12,15,27H,13-14H2,1-2H3,(H,24,26)/b12-11+
InChIKeyMDWBJFGCVLUCHD-VAWYXSNFSA-N
XLogP3.93
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

(E)-N-hydroxy-3-[3-[4-methyl-5-phenyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]prop-2-enamide
CID 11212396
N-hydroxy-3-[3-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 75226882
(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 10362593
N-hydroxy-3-[3-[1-[2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]phenyl]prop-2-enamide
CID 87855611
(E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 10475051
(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)-5,6-dihydrobenzimidazol-2-yl]phenyl]prop-2-enamide
CID 142943984
3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide
CID 72979979
(E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10408900
(E)-N-hydroxy-3-[3-[1-[2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]benzimidazol-2-yl]phenyl]prop-2-enamide
CID 142943993
(E)-3-[3-[1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-yl]phenyl]-N-methylprop-2-enamide
CID 58787460
(E)-3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 11245600
3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 72767174

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide (CID 11360420) is (E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide is Cc1nc(-c2cccc(/C=C/C(=O)NO)c2)n(CCc2ccccc2)c1C.
What is the InChIKey of (E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is MDWBJFGCVLUCHD-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-17(2)25(14-13-18-7-4-3-5-8-18)22(23-16)20-10-6-9-19(15-20)11-12-21(26)24-27/h3-12,15,27H,13-14H2,1-2H3,(H,24,26)/b12-11+.
What are the key properties of (E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 361.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11360420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).