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

C22H23N3O2 — CID 72786372

IUPAC3-[3-[2,5-dimethyl-3-(1-phenylethyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1nc(C)n(C(C)c2ccccc2)c1-c1cccc(C=CC(=O)NO)c1
InChIInChI=1S/C22H23N3O2/c1-15-22(20-11-7-8-18(14-20)12-13-21(26)24-27)25(17(3)23-15)16(2)19-9-5-4-6-10-19/h4-14,16,27H,1-3H3,(H,24,26)
InChIKeyHCJNIDDIOVYUQA-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.29
Rot. Bonds5

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

3-[3-[2,5-dimethyl-3-(1-phenylethyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 72786372) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[3-[2,5-dimethyl-3-(1-phenylethyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[3-[2,5-dimethyl-3-(1-phenylethyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID72786372
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-[3-[2,5-dimethyl-3-(1-phenylethyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1nc(C)n(C(C)c2ccccc2)c1-c1cccc(C=CC(=O)NO)c1
InChIInChI=1S/C22H23N3O2/c1-15-22(20-11-7-8-18(14-20)12-13-21(26)24-27)25(17(3)23-15)16(2)19-9-5-4-6-10-19/h4-14,16,27H,1-3H3,(H,24,26)
InChIKeyHCJNIDDIOVYUQA-UHFFFAOYSA-N
XLogP4.29
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.29
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
3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide
CID 72979979
(E)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 11360420
(E)-N-hydroxy-3-[3-[2-methyl-5-[(4Z,6Z)-3-methylidenenona-4,6-dienyl]-3-propan-2-ylimidazol-4-yl]phenyl]prop-2-enamide
CID 143076374
N-(2-aminophenyl)-3-[3-[1-[1-(4-fluorophenyl)ethyl]benzimidazol-2-yl]phenyl]prop-2-enamide
CID 69490760
(Z)-3-phenyl-N-[[1-(1-phenylethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16970769
N-hydroxy-3-[3-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 75226882
(E)-3-[3-[1-(1-ethylpiperidin-3-yl)-4-methyl-5-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 11453207
(E)-3-[3-[1-(4-chlorophenyl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10362929
(E)-N-hydroxy-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enamide;(E)-3-[3-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
CID 159561023
(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 10362593
(E)-3-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10431295

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2,5-dimethyl-3-(1-phenylethyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[3-[2,5-dimethyl-3-(1-phenylethyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide (CID 72786372) is 3-[3-[2,5-dimethyl-3-(1-phenylethyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[3-[2,5-dimethyl-3-(1-phenylethyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[3-[2,5-dimethyl-3-(1-phenylethyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide is Cc1nc(C)n(C(C)c2ccccc2)c1-c1cccc(C=CC(=O)NO)c1.
What is the InChIKey of 3-[3-[2,5-dimethyl-3-(1-phenylethyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is HCJNIDDIOVYUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-22(20-11-7-8-18(14-20)12-13-21(26)24-27)25(17(3)23-15)16(2)19-9-5-4-6-10-19/h4-14,16,27H,1-3H3,(H,24,26).
What are the key properties of 3-[3-[2,5-dimethyl-3-(1-phenylethyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide?
3-[3-[2,5-dimethyl-3-(1-phenylethyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 361.45 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2,5-dimethyl-3-(1-phenylethyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 72786372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).