3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide

C23H25N3O2 — CID 72979979

IUPAC3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide
SMILESCc1c(Cc2ccccc2)nc(-c2cccc(C=CC(=O)NO)c2)n1C(C)C
InChIInChI=1S/C23H25N3O2/c1-16(2)26-17(3)21(15-18-8-5-4-6-9-18)24-23(26)20-11-7-10-19(14-20)12-13-22(27)25-28/h4-14,16,28H,15H2,1-3H3,(H,25,27)
InChIKeyNHKALJIHFJSEKN-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.55
Rot. Bonds6

About 3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide

3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 72979979) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide
PubChem CID72979979
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide
SMILESCc1c(Cc2ccccc2)nc(-c2cccc(C=CC(=O)NO)c2)n1C(C)C
InChIInChI=1S/C23H25N3O2/c1-16(2)26-17(3)21(15-18-8-5-4-6-9-18)24-23(26)20-11-7-10-19(14-20)12-13-22(27)25-28/h4-14,16,28H,15H2,1-3H3,(H,25,27)
InChIKeyNHKALJIHFJSEKN-UHFFFAOYSA-N
XLogP4.55
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.55
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)-3-[3-[4,5-dimethyl-1-(2-phenylethyl)imidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 11360420
3-[3-[2,5-dimethyl-3-(1-phenylethyl)imidazol-4-yl]phenyl]-N-hydroxyprop-2-enamide
CID 72786372
(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-[2-methyl-5-[(4Z,6Z)-3-methylidenenona-4,6-dienyl]-3-propan-2-ylimidazol-4-yl]phenyl]prop-2-enamide
CID 143076374
(E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10408900
N-hydroxy-3-[3-[1-[2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]phenyl]prop-2-enamide
CID 87855611
(E)-N-hydroxy-3-[3-[1-(2-pyridin-4-ylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 10362593
3-[3-[1-(1-ethylpiperidin-3-yl)-5-methyl-4-phenylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 72967329
(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-methyl-3-[3-[1-(4-phenylmethoxyphenyl)benzimidazol-2-yl]phenyl]prop-2-enamide
CID 58787440

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide (CID 72979979) is 3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide is Cc1c(Cc2ccccc2)nc(-c2cccc(C=CC(=O)NO)c2)n1C(C)C.
What is the InChIKey of 3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is NHKALJIHFJSEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(2)26-17(3)21(15-18-8-5-4-6-9-18)24-23(26)20-11-7-10-19(14-20)12-13-22(27)25-28/h4-14,16,28H,15H2,1-3H3,(H,25,27).
What are the key properties of 3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide?
3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 375.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-benzyl-5-methyl-1-propan-2-ylimidazol-2-yl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 72979979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).