1-[1-[(4-chlorophenyl)methyl]-2-(4-fluorophenoxy)-5-formylimidazol-4-yl]-1-ethyl-3-(3-hydroxypropyl)urea

C23H24ClFN4O4 — CID 135269305

IUPAC1-[1-[(4-chlorophenyl)methyl]-2-(4-fluorophenoxy)-5-formylimidazol-4-yl]-1-ethyl-3-(3-hydroxypropyl)urea
SMILESCCN(C(=O)NCCCO)c1nc(Oc2ccc(F)cc2)n(Cc2ccc(Cl)cc2)c1C=O
InChIInChI=1S/C23H24ClFN4O4/c1-2-28(22(32)26-12-3-13-30)21-20(15-31)29(14-16-4-6-17(24)7-5-16)23(27-21)33-19-10-8-18(25)9-11-19/h4-11,15,30H,2-3,12-14H2,1H3,(H,26,32)
InChIKeyUAMWTLITVNBDLS-UHFFFAOYSA-N
MW474.92 g/mol
LogP4.25
Rot. Bonds10

About 1-[1-[(4-chlorophenyl)methyl]-2-(4-fluorophenoxy)-5-formylimidazol-4-yl]-1-ethyl-3-(3-hydroxypropyl)urea

1-[1-[(4-chlorophenyl)methyl]-2-(4-fluorophenoxy)-5-formylimidazol-4-yl]-1-ethyl-3-(3-hydroxypropyl)urea (PubChem CID 135269305) has the molecular formula C23H24ClFN4O4 and a molecular weight of 474.92 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]-2-(4-fluorophenoxy)-5-formylimidazol-4-yl]-1-ethyl-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]-2-(4-fluorophenoxy)-5-formylimidazol-4-yl]-1-ethyl-3-(3-hydroxypropyl)urea
PubChem CID135269305
Molecular FormulaC23H24ClFN4O4
Molecular Weight474.92 g/mol
Exact Mass474.15
IUPAC Name1-[1-[(4-chlorophenyl)methyl]-2-(4-fluorophenoxy)-5-formylimidazol-4-yl]-1-ethyl-3-(3-hydroxypropyl)urea
SMILESCCN(C(=O)NCCCO)c1nc(Oc2ccc(F)cc2)n(Cc2ccc(Cl)cc2)c1C=O
InChIInChI=1S/C23H24ClFN4O4/c1-2-28(22(32)26-12-3-13-30)21-20(15-31)29(14-16-4-6-17(24)7-5-16)23(27-21)33-19-10-8-18(25)9-11-19/h4-11,15,30H,2-3,12-14H2,1H3,(H,26,32)
InChIKeyUAMWTLITVNBDLS-UHFFFAOYSA-N
XLogP4.25
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.92
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]-2-(4-fluorophenoxy)-5-formylimidazol-4-yl]-1-ethyl-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]-2-(4-fluorophenoxy)-5-formylimidazol-4-yl]-1-ethyl-3-(3-hydroxypropyl)urea (CID 135269305) is 1-[1-[(4-chlorophenyl)methyl]-2-(4-fluorophenoxy)-5-formylimidazol-4-yl]-1-ethyl-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]-2-(4-fluorophenoxy)-5-formylimidazol-4-yl]-1-ethyl-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]-2-(4-fluorophenoxy)-5-formylimidazol-4-yl]-1-ethyl-3-(3-hydroxypropyl)urea is CCN(C(=O)NCCCO)c1nc(Oc2ccc(F)cc2)n(Cc2ccc(Cl)cc2)c1C=O.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]-2-(4-fluorophenoxy)-5-formylimidazol-4-yl]-1-ethyl-3-(3-hydroxypropyl)urea?
The InChIKey is UAMWTLITVNBDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O4/c1-2-28(22(32)26-12-3-13-30)21-20(15-31)29(14-16-4-6-17(24)7-5-16)23(27-21)33-19-10-8-18(25)9-11-19/h4-11,15,30H,2-3,12-14H2,1H3,(H,26,32).
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]-2-(4-fluorophenoxy)-5-formylimidazol-4-yl]-1-ethyl-3-(3-hydroxypropyl)urea?
1-[1-[(4-chlorophenyl)methyl]-2-(4-fluorophenoxy)-5-formylimidazol-4-yl]-1-ethyl-3-(3-hydroxypropyl)urea has a molecular weight of 474.92 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]-2-(4-fluorophenoxy)-5-formylimidazol-4-yl]-1-ethyl-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 135269305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).