(E)-3-[1-(2,2-dimethylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide

C23H27N3O2 — CID 11337888

IUPAC(E)-3-[1-(2,2-dimethylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
SMILESCC(C)(C)Cn1c(CCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C23H27N3O2/c1-23(2,3)16-26-20-12-9-18(11-14-22(27)25-28)15-19(20)24-21(26)13-10-17-7-5-4-6-8-17/h4-9,11-12,14-15,28H,10,13,16H2,1-3H3,(H,25,27)/b14-11+
InChIKeyYLCKPUXQYSWWMM-SDNWHVSQSA-N
MW377.49 g/mol
LogP4.39
Rot. Bonds6

About (E)-3-[1-(2,2-dimethylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[1-(2,2-dimethylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 11337888) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (E)-3-[1-(2,2-dimethylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-(2,2-dimethylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID11337888
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(E)-3-[1-(2,2-dimethylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
SMILESCC(C)(C)Cn1c(CCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C23H27N3O2/c1-23(2,3)16-26-20-12-9-18(11-14-22(27)25-28)15-19(20)24-21(26)13-10-17-7-5-4-6-8-17/h4-9,11-12,14-15,28H,10,13,16H2,1-3H3,(H,25,27)/b14-11+
InChIKeyYLCKPUXQYSWWMM-SDNWHVSQSA-N
XLogP4.39
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.39
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)-3-[1-(2,2-dimethylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-(2,2-dimethylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide (CID 11337888) is (E)-3-[1-(2,2-dimethylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-(2,2-dimethylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-(2,2-dimethylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide is CC(C)(C)Cn1c(CCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21.
What is the InChIKey of (E)-3-[1-(2,2-dimethylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is YLCKPUXQYSWWMM-SDNWHVSQSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-23(2,3)16-26-20-12-9-18(11-14-22(27)25-28)15-19(20)24-21(26)13-10-17-7-5-4-6-8-17/h4-9,11-12,14-15,28H,10,13,16H2,1-3H3,(H,25,27)/b14-11+.
What are the key properties of (E)-3-[1-(2,2-dimethylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-(2,2-dimethylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 377.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-(2,2-dimethylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11337888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).