(E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide

C24H21N3O2 — CID 10475051

IUPAC(E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2nc3ccccc3n2CCc2ccccc2)cc1)NO
InChIInChI=1S/C24H21N3O2/c28-23(26-29)15-12-19-10-13-20(14-11-19)24-25-21-8-4-5-9-22(21)27(24)17-16-18-6-2-1-3-7-18/h1-15,29H,16-17H2,(H,26,28)/b15-12+
InChIKeyFEKSJIZSEYYQNT-NTCAYCPXSA-N
MW383.45 g/mol
LogP4.46
Rot. Bonds6

About (E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide (PubChem CID 10475051) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
PubChem CID10475051
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name(E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2nc3ccccc3n2CCc2ccccc2)cc1)NO
InChIInChI=1S/C24H21N3O2/c28-23(26-29)15-12-19-10-13-20(14-11-19)24-25-21-8-4-5-9-22(21)27(24)17-16-18-6-2-1-3-7-18/h1-15,29H,16-17H2,(H,26,28)/b15-12+
InChIKeyFEKSJIZSEYYQNT-NTCAYCPXSA-N
XLogP4.46
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.46
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide (CID 10475051) is (E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(-c2nc3ccccc3n2CCc2ccccc2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide?
The InChIKey is FEKSJIZSEYYQNT-NTCAYCPXSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-23(26-29)15-12-19-10-13-20(14-11-19)24-25-21-8-4-5-9-22(21)27(24)17-16-18-6-2-1-3-7-18/h1-15,29H,16-17H2,(H,26,28)/b15-12+.
What are the key properties of (E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide has a molecular weight of 383.45 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[1-(2-phenylethyl)benzimidazol-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 10475051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).