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

C23H28N4O2 — CID 11153574

IUPAC(E)-3-[1-[3-(dimethylamino)propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
SMILESCN(C)CCCn1c(CCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C23H28N4O2/c1-26(2)15-6-16-27-21-12-9-19(11-14-23(28)25-29)17-20(21)24-22(27)13-10-18-7-4-3-5-8-18/h3-5,7-9,11-12,14,17,29H,6,10,13,15-16H2,1-2H3,(H,25,28)/b14-11+
InChIKeyRSGFYZCTBZEMGX-SDNWHVSQSA-N
MW392.50 g/mol
LogP3.29
Rot. Bonds9

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

(E)-3-[1-[3-(dimethylamino)propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 11153574) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (E)-3-[1-[3-(dimethylamino)propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[3-(dimethylamino)propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID11153574
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(E)-3-[1-[3-(dimethylamino)propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
SMILESCN(C)CCCn1c(CCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21
InChIInChI=1S/C23H28N4O2/c1-26(2)15-6-16-27-21-12-9-19(11-14-23(28)25-29)17-20(21)24-22(27)13-10-18-7-4-3-5-8-18/h3-5,7-9,11-12,14,17,29H,6,10,13,15-16H2,1-2H3,(H,25,28)/b14-11+
InChIKeyRSGFYZCTBZEMGX-SDNWHVSQSA-N
XLogP3.29
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-(dimethylamino)propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-[3-(dimethylamino)propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide (CID 11153574) is (E)-3-[1-[3-(dimethylamino)propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-[3-(dimethylamino)propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-[3-(dimethylamino)propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide is CN(C)CCCn1c(CCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21.
What is the InChIKey of (E)-3-[1-[3-(dimethylamino)propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is RSGFYZCTBZEMGX-SDNWHVSQSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-26(2)15-6-16-27-21-12-9-19(11-14-23(28)25-29)17-20(21)24-22(27)13-10-18-7-4-3-5-8-18/h3-5,7-9,11-12,14,17,29H,6,10,13,15-16H2,1-2H3,(H,25,28)/b14-11+.
What are the key properties of (E)-3-[1-[3-(dimethylamino)propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[3-(dimethylamino)propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 392.50 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[3-(dimethylamino)propyl]-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11153574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).