4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole

C25H21Cl2F3N2O — CID 10289054

IUPAC4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole
SMILESCC(C)Oc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C25H21Cl2F3N2O/c1-14(2)33-21-13-17(25(28,29)30)7-12-20(21)24-31-22(15-3-8-18(26)9-4-15)23(32-24)16-5-10-19(27)11-6-16/h3-14,22-23H,1-2H3,(H,31,32)
InChIKeyHUPNRVHWPHWMBZ-UHFFFAOYSA-N
MW493.36 g/mol
LogP7.63
Rot. Bonds5

About 4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole

4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 10289054) has the molecular formula C25H21Cl2F3N2O and a molecular weight of 493.36 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole
PubChem CID10289054
Molecular FormulaC25H21Cl2F3N2O
Molecular Weight493.36 g/mol
Exact Mass492.10
IUPAC Name4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole
SMILESCC(C)Oc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C25H21Cl2F3N2O/c1-14(2)33-21-13-17(25(28,29)30)7-12-20(21)24-31-22(15-3-8-18(26)9-4-15)23(32-24)16-5-10-19(27)11-6-16/h3-14,22-23H,1-2H3,(H,31,32)
InChIKeyHUPNRVHWPHWMBZ-UHFFFAOYSA-N
XLogP7.63
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.36
LogP ≤ 57.63
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-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole (CID 10289054) is 4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole is CC(C)Oc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is HUPNRVHWPHWMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2F3N2O/c1-14(2)33-21-13-17(25(28,29)30)7-12-20(21)24-31-22(15-3-8-18(26)9-4-15)23(32-24)16-5-10-19(27)11-6-16/h3-14,22-23H,1-2H3,(H,31,32).
What are the key properties of 4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole?
4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 493.36 g/mol, XLogP of 7.63, 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-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10289054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).