(2E,4E)-5-[1-ethenyl-5-(2-methoxyethylamino)-4-pentylimidazol-2-yl]-N-hydroxypenta-2,4-dienamide

C18H28N4O3 — CID 59169997

IUPAC(2E,4E)-5-[1-ethenyl-5-(2-methoxyethylamino)-4-pentylimidazol-2-yl]-N-hydroxypenta-2,4-dienamide
SMILESC=Cn1c(/C=C/C=C/C(=O)NO)nc(CCCCC)c1NCCOC
InChIInChI=1S/C18H28N4O3/c1-4-6-7-10-15-18(19-13-14-25-3)22(5-2)16(20-15)11-8-9-12-17(23)21-24/h5,8-9,11-12,19,24H,2,4,6-7,10,13-14H2,1,3H3,(H,21,23)/b11-8+,12-9+
InChIKeyLDBGDMMDPCTWQB-HZOWPXDZSA-N
MW348.45 g/mol
LogP2.85
Rot. Bonds12

About (2E,4E)-5-[1-ethenyl-5-(2-methoxyethylamino)-4-pentylimidazol-2-yl]-N-hydroxypenta-2,4-dienamide

(2E,4E)-5-[1-ethenyl-5-(2-methoxyethylamino)-4-pentylimidazol-2-yl]-N-hydroxypenta-2,4-dienamide (PubChem CID 59169997) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (2E,4E)-5-[1-ethenyl-5-(2-methoxyethylamino)-4-pentylimidazol-2-yl]-N-hydroxypenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-[1-ethenyl-5-(2-methoxyethylamino)-4-pentylimidazol-2-yl]-N-hydroxypenta-2,4-dienamide
PubChem CID59169997
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name(2E,4E)-5-[1-ethenyl-5-(2-methoxyethylamino)-4-pentylimidazol-2-yl]-N-hydroxypenta-2,4-dienamide
SMILESC=Cn1c(/C=C/C=C/C(=O)NO)nc(CCCCC)c1NCCOC
InChIInChI=1S/C18H28N4O3/c1-4-6-7-10-15-18(19-13-14-25-3)22(5-2)16(20-15)11-8-9-12-17(23)21-24/h5,8-9,11-12,19,24H,2,4,6-7,10,13-14H2,1,3H3,(H,21,23)/b11-8+,12-9+
InChIKeyLDBGDMMDPCTWQB-HZOWPXDZSA-N
XLogP2.85
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[1-ethenyl-5-(2-methoxyethylamino)-4-pentylimidazol-2-yl]-N-hydroxypenta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-[1-ethenyl-5-(2-methoxyethylamino)-4-pentylimidazol-2-yl]-N-hydroxypenta-2,4-dienamide (CID 59169997) is (2E,4E)-5-[1-ethenyl-5-(2-methoxyethylamino)-4-pentylimidazol-2-yl]-N-hydroxypenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-[1-ethenyl-5-(2-methoxyethylamino)-4-pentylimidazol-2-yl]-N-hydroxypenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-[1-ethenyl-5-(2-methoxyethylamino)-4-pentylimidazol-2-yl]-N-hydroxypenta-2,4-dienamide is C=Cn1c(/C=C/C=C/C(=O)NO)nc(CCCCC)c1NCCOC.
What is the InChIKey of (2E,4E)-5-[1-ethenyl-5-(2-methoxyethylamino)-4-pentylimidazol-2-yl]-N-hydroxypenta-2,4-dienamide?
The InChIKey is LDBGDMMDPCTWQB-HZOWPXDZSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-4-6-7-10-15-18(19-13-14-25-3)22(5-2)16(20-15)11-8-9-12-17(23)21-24/h5,8-9,11-12,19,24H,2,4,6-7,10,13-14H2,1,3H3,(H,21,23)/b11-8+,12-9+.
What are the key properties of (2E,4E)-5-[1-ethenyl-5-(2-methoxyethylamino)-4-pentylimidazol-2-yl]-N-hydroxypenta-2,4-dienamide?
(2E,4E)-5-[1-ethenyl-5-(2-methoxyethylamino)-4-pentylimidazol-2-yl]-N-hydroxypenta-2,4-dienamide has a molecular weight of 348.45 g/mol, XLogP of 2.85, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[1-ethenyl-5-(2-methoxyethylamino)-4-pentylimidazol-2-yl]-N-hydroxypenta-2,4-dienamide is sourced from PubChem (CID 59169997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).