4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one

C23H27N3O4 — CID 142647400

IUPAC4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one
SMILESCOc1cnc(C(C)(O)CC2=NC(=O)N=C2)cc1OCCCCCc1ccccc1
InChIInChI=1S/C23H27N3O4/c1-23(28,14-18-15-25-22(27)26-18)21-13-19(20(29-2)16-24-21)30-12-8-4-7-11-17-9-5-3-6-10-17/h3,5-6,9-10,13,15-16,28H,4,7-8,11-12,14H2,1-2H3
InChIKeyRIDIIPCVKCPJQY-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.12
Rot. Bonds11

About 4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one

4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one (PubChem CID 142647400) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one.

Molecular Properties

Compound Name4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one
PubChem CID142647400
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one
SMILESCOc1cnc(C(C)(O)CC2=NC(=O)N=C2)cc1OCCCCCc1ccccc1
InChIInChI=1S/C23H27N3O4/c1-23(28,14-18-15-25-22(27)26-18)21-13-19(20(29-2)16-24-21)30-12-8-4-7-11-17-9-5-3-6-10-17/h3,5-6,9-10,13,15-16,28H,4,7-8,11-12,14H2,1-2H3
InChIKeyRIDIIPCVKCPJQY-UHFFFAOYSA-N
XLogP4.12
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one with MolForge

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Related Compounds

[5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol
CID 21221229
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]acetate
CID 7139445
[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
CID 22685843
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
5-hydroxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-1,2-oxazol-3-one
CID 67590936
4,5-dimethoxy-2-(3-phenylpropoxy)aniline
CID 83005249
3-methyl-4-(3-phenylpropoxy)benzoic acid
CID 62703449
3,4-bis(4-phenylbutoxy)phenol
CID 146326357
7-methoxyheptylbenzene
CID 54276867
2,6-bis(5-phenylpentoxy)phenol
CID 57224356
2-ethyl-4-imino-2-methoxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]butanoic acid
CID 89064015
[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
CID 7139503

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one?
The IUPAC name of 4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one (CID 142647400) is 4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one.
What is the SMILES notation for 4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one?
The canonical SMILES for 4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one is COc1cnc(C(C)(O)CC2=NC(=O)N=C2)cc1OCCCCCc1ccccc1.
What is the InChIKey of 4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one?
The InChIKey is RIDIIPCVKCPJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-23(28,14-18-15-25-22(27)26-18)21-13-19(20(29-2)16-24-21)30-12-8-4-7-11-17-9-5-3-6-10-17/h3,5-6,9-10,13,15-16,28H,4,7-8,11-12,14H2,1-2H3.
What are the key properties of 4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one?
4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one has a molecular weight of 409.49 g/mol, XLogP of 4.12, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-2-[5-methoxy-4-(5-phenylpentoxy)-2-pyridinyl]propyl]imidazol-2-one is sourced from PubChem (CID 142647400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).