(E)-3-[1-[2-(dimethylamino)ethyl]-2-hexylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide

C20H30N4O2 — CID 15983982

IUPAC(E)-3-[1-[2-(dimethylamino)ethyl]-2-hexylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide
SMILESCCCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(C)C
InChIInChI=1S/C20H30N4O2/c1-4-5-6-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(2)3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+
InChIKeyPUFPSZILMLJFEU-ZRDIBKRKSA-N
MW358.49 g/mol
LogP3.24
Rot. Bonds10

About (E)-3-[1-[2-(dimethylamino)ethyl]-2-hexylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[1-[2-(dimethylamino)ethyl]-2-hexylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 15983982) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (E)-3-[1-[2-(dimethylamino)ethyl]-2-hexylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[1-[2-(dimethylamino)ethyl]-2-hexylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID15983982
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name(E)-3-[1-[2-(dimethylamino)ethyl]-2-hexylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide
SMILESCCCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(C)C
InChIInChI=1S/C20H30N4O2/c1-4-5-6-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(2)3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+
InChIKeyPUFPSZILMLJFEU-ZRDIBKRKSA-N
XLogP3.24
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(dimethylamino)ethyl]-2-hexylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[1-[2-(dimethylamino)ethyl]-2-hexylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide (CID 15983982) is (E)-3-[1-[2-(dimethylamino)ethyl]-2-hexylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[1-[2-(dimethylamino)ethyl]-2-hexylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[1-[2-(dimethylamino)ethyl]-2-hexylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide is CCCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(C)C.
What is the InChIKey of (E)-3-[1-[2-(dimethylamino)ethyl]-2-hexylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is PUFPSZILMLJFEU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-4-5-6-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(2)3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+.
What are the key properties of (E)-3-[1-[2-(dimethylamino)ethyl]-2-hexylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[1-[2-(dimethylamino)ethyl]-2-hexylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 358.49 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[2-(dimethylamino)ethyl]-2-hexylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 15983982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).