4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole

C24H21Cl2FN2O — CID 10173628

IUPAC4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCC(C)Oc1cc(F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C24H21Cl2FN2O/c1-14(2)30-21-13-19(27)11-12-20(21)24-28-22(15-3-7-17(25)8-4-15)23(29-24)16-5-9-18(26)10-6-16/h3-14,22-23H,1-2H3,(H,28,29)
InChIKeyMRGUYDKGRDHPAN-UHFFFAOYSA-N
MW443.35 g/mol
LogP6.75
Rot. Bonds5

About 4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole

4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 10173628) has the molecular formula C24H21Cl2FN2O and a molecular weight of 443.35 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole
PubChem CID10173628
Molecular FormulaC24H21Cl2FN2O
Molecular Weight443.35 g/mol
Exact Mass442.10
IUPAC Name4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCC(C)Oc1cc(F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C24H21Cl2FN2O/c1-14(2)30-21-13-19(27)11-12-20(21)24-28-22(15-3-7-17(25)8-4-15)23(29-24)16-5-9-18(26)10-6-16/h3-14,22-23H,1-2H3,(H,28,29)
InChIKeyMRGUYDKGRDHPAN-UHFFFAOYSA-N
XLogP6.75
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.35
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole (CID 10173628) is 4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole is CC(C)Oc1cc(F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is MRGUYDKGRDHPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2FN2O/c1-14(2)30-21-13-19(27)11-12-20(21)24-28-22(15-3-7-17(25)8-4-15)23(29-24)16-5-9-18(26)10-6-16/h3-14,22-23H,1-2H3,(H,28,29).
What are the key properties of 4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole?
4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 443.35 g/mol, XLogP of 6.75, 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-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10173628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).