[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride

C37H35Cl3F3N3O3 — CID 87761717

IUPAC[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride
SMILESCC(C)Oc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)c1ccc(CN2CCOCC2)cc1.Cl
InChIInChI=1S/C37H34Cl2F3N3O3.ClH/c1-23(2)48-32-21-28(37(40,41)42)11-16-31(32)35-43-33(25-7-12-29(38)13-8-25)34(26-9-14-30(39)15-10-26)45(35)36(46)27-5-3-24(4-6-27)22-44-17-19-47-20-18-44;/h3-16,21,23,33-34H,17-20,22H2,1-2H3;1H
InChIKeyOSPXDEOYPPCUHS-UHFFFAOYSA-N
MW733.06 g/mol
LogP9.44
Rot. Bonds8

About [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride

[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride (PubChem CID 87761717) has the molecular formula C37H35Cl3F3N3O3 and a molecular weight of 733.06 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride
PubChem CID87761717
Molecular FormulaC37H35Cl3F3N3O3
Molecular Weight733.06 g/mol
Exact Mass731.17
IUPAC Name[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride
SMILESCC(C)Oc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)c1ccc(CN2CCOCC2)cc1.Cl
InChIInChI=1S/C37H34Cl2F3N3O3.ClH/c1-23(2)48-32-21-28(37(40,41)42)11-16-31(32)35-43-33(25-7-12-29(38)13-8-25)34(26-9-14-30(39)15-10-26)45(35)36(46)27-5-3-24(4-6-27)22-44-17-19-47-20-18-44;/h3-16,21,23,33-34H,17-20,22H2,1-2H3;1H
InChIKeyOSPXDEOYPPCUHS-UHFFFAOYSA-N
XLogP9.44
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.06
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride with MolForge

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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-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride?
The IUPAC name of [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride (CID 87761717) is [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride is CC(C)Oc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)c1ccc(CN2CCOCC2)cc1.Cl.
What is the InChIKey of [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride?
The InChIKey is OSPXDEOYPPCUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34Cl2F3N3O3.ClH/c1-23(2)48-32-21-28(37(40,41)42)11-16-31(32)35-43-33(25-7-12-29(38)13-8-25)34(26-9-14-30(39)15-10-26)45(35)36(46)27-5-3-24(4-6-27)22-44-17-19-47-20-18-44;/h3-16,21,23,33-34H,17-20,22H2,1-2H3;1H.
What are the key properties of [4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride?
[4,5-bis(4-chlorophenyl)-2-[2-propan-2-yloxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride has a molecular weight of 733.06 g/mol, XLogP of 9.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 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-dihydroimidazol-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 87761717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).