4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole

C23H19Cl2FN2O — CID 10151200

IUPAC4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole
SMILESCCOc1cc(F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C23H19Cl2FN2O/c1-2-29-20-13-18(26)11-12-19(20)23-27-21(14-3-7-16(24)8-4-14)22(28-23)15-5-9-17(25)10-6-15/h3-13,21-22H,2H2,1H3,(H,27,28)
InChIKeyNYSZHEJUEOIZGW-UHFFFAOYSA-N
MW429.32 g/mol
LogP6.36
Rot. Bonds5

About 4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole

4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole (PubChem CID 10151200) has the molecular formula C23H19Cl2FN2O and a molecular weight of 429.32 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole
PubChem CID10151200
Molecular FormulaC23H19Cl2FN2O
Molecular Weight429.32 g/mol
Exact Mass428.09
IUPAC Name4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole
SMILESCCOc1cc(F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C23H19Cl2FN2O/c1-2-29-20-13-18(26)11-12-19(20)23-27-21(14-3-7-16(24)8-4-14)22(28-23)15-5-9-17(25)10-6-15/h3-13,21-22H,2H2,1H3,(H,27,28)
InChIKeyNYSZHEJUEOIZGW-UHFFFAOYSA-N
XLogP6.36
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.32
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole (CID 10151200) is 4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole is CCOc1cc(F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is NYSZHEJUEOIZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2FN2O/c1-2-29-20-13-18(26)11-12-19(20)23-27-21(14-3-7-16(24)8-4-14)22(28-23)15-5-9-17(25)10-6-15/h3-13,21-22H,2H2,1H3,(H,27,28).
What are the key properties of 4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole?
4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 429.32 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10151200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).