1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol

C23H29N3O4 — CID 14739906

IUPAC1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
SMILESCOCCc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C23H29N3O4/c1-28-14-10-19-2-6-23(7-3-19)30-17-21(27)16-24-12-15-29-22-8-4-20(5-9-22)26-13-11-25-18-26/h2-9,11,13,18,21,24,27H,10,12,14-17H2,1H3
InChIKeyLHDUUWAMFCDNEW-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.47
Rot. Bonds13

About 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol

1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol (PubChem CID 14739906) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
PubChem CID14739906
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
SMILESCOCCc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C23H29N3O4/c1-28-14-10-19-2-6-23(7-3-19)30-17-21(27)16-24-12-15-29-22-8-4-20(5-9-22)26-13-11-25-18-26/h2-9,11,13,18,21,24,27H,10,12,14-17H2,1H3
InChIKeyLHDUUWAMFCDNEW-UHFFFAOYSA-N
XLogP2.47
TPSA77.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol (CID 14739906) is 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol is COCCc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol?
The InChIKey is LHDUUWAMFCDNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-28-14-10-19-2-6-23(7-3-19)30-17-21(27)16-24-12-15-29-22-8-4-20(5-9-22)26-13-11-25-18-26/h2-9,11,13,18,21,24,27H,10,12,14-17H2,1H3.
What are the key properties of 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol?
1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol has a molecular weight of 411.50 g/mol, XLogP of 2.47, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 14739906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).