(E)-N-hydroxy-3-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide

C19H19N3O2 — CID 11404457

IUPAC(E)-N-hydroxy-3-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide
SMILESCn1c(CCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C19H19N3O2/c1-22-17-10-7-15(9-12-19(23)21-24)13-16(17)20-18(22)11-8-14-5-3-2-4-6-14/h2-7,9-10,12-13,24H,8,11H2,1H3,(H,21,23)/b12-9+
InChIKeyMNTZTXLUYBQSMI-FMIVXFBMSA-N
MW321.38 g/mol
LogP2.88
Rot. Bonds5

About (E)-N-hydroxy-3-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide (PubChem CID 11404457) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide
PubChem CID11404457
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(E)-N-hydroxy-3-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide
SMILESCn1c(CCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C19H19N3O2/c1-22-17-10-7-15(9-12-19(23)21-24)13-16(17)20-18(22)11-8-14-5-3-2-4-6-14/h2-7,9-10,12-13,24H,8,11H2,1H3,(H,21,23)/b12-9+
InChIKeyMNTZTXLUYBQSMI-FMIVXFBMSA-N
XLogP2.88
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.88
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-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide (CID 11404457) is (E)-N-hydroxy-3-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide is Cn1c(CCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21.
What is the InChIKey of (E)-N-hydroxy-3-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide?
The InChIKey is MNTZTXLUYBQSMI-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-22-17-10-7-15(9-12-19(23)21-24)13-16(17)20-18(22)11-8-14-5-3-2-4-6-14/h2-7,9-10,12-13,24H,8,11H2,1H3,(H,21,23)/b12-9+.
What are the key properties of (E)-N-hydroxy-3-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide has a molecular weight of 321.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide is sourced from PubChem (CID 11404457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).