1,3-bis(4-methylphenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-2,3'-indole]-2'-one

C32H28F3N3O — CID 5306160

IUPAC1,3-bis(4-methylphenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-2,3'-indole]-2'-one
SMILESCc1ccc(N2CCN(c3ccc(C)cc3)C23C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc23)cc1
InChIInChI=1S/C32H28F3N3O/c1-22-10-14-26(15-11-22)37-18-19-38(27-16-12-23(2)13-17-27)31(37)28-8-3-4-9-29(28)36(30(31)39)21-24-6-5-7-25(20-24)32(33,34)35/h3-17,20H,18-19,21H2,1-2H3
InChIKeyHWJYXOZCTSMJCO-UHFFFAOYSA-N
MW527.59 g/mol
LogP7.05
Rot. Bonds4

About 1,3-bis(4-methylphenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-2,3'-indole]-2'-one

1,3-bis(4-methylphenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-2,3'-indole]-2'-one (PubChem CID 5306160) has the molecular formula C32H28F3N3O and a molecular weight of 527.59 g/mol. Its IUPAC name is 1,3-bis(4-methylphenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1,3-bis(4-methylphenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-2,3'-indole]-2'-one
PubChem CID5306160
Molecular FormulaC32H28F3N3O
Molecular Weight527.59 g/mol
Exact Mass527.22
IUPAC Name1,3-bis(4-methylphenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-2,3'-indole]-2'-one
SMILESCc1ccc(N2CCN(c3ccc(C)cc3)C23C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc23)cc1
InChIInChI=1S/C32H28F3N3O/c1-22-10-14-26(15-11-22)37-18-19-38(27-16-12-23(2)13-17-27)31(37)28-8-3-4-9-29(28)36(30(31)39)21-24-6-5-7-25(20-24)32(33,34)35/h3-17,20H,18-19,21H2,1-2H3
InChIKeyHWJYXOZCTSMJCO-UHFFFAOYSA-N
XLogP7.05
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.59
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-dioxepane-2,3'-indole]-2'-one
CID 17138691
3-phenyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 3733061
3-(4-fluorophenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922317
2-[(4-methylphenyl)methyl]-1,1-dioxo-5-[[3-(trifluoromethyl)phenyl]methyl]-3H-1λ6,2,5-benzothiadiazepin-4-one
CID 20970960
(3R)-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one
CID 40823101
(3S)-1-benzyl-3-benzylsulfanyl-3-[3-(trifluoromethyl)phenyl]indol-2-one
CID 66575500
3-[[(1R,2S)-2-(4-methylphenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoic acid
CID 58305344
1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one
CID 141283536
5'-methoxy-N-(4-methylphenyl)-2'-oxo-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 42839161
1'-[(3-chlorophenyl)methyl]-1,1-dioxo-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 22424744
(3R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-one
CID 42559576
(2'R,3R)-1-benzyl-1'-(4-methylphenyl)sulfonyl-2'-[4-(trifluoromethyl)phenyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 11813860

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methylphenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-2,3'-indole]-2'-one?
The IUPAC name of 1,3-bis(4-methylphenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-2,3'-indole]-2'-one (CID 5306160) is 1,3-bis(4-methylphenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 1,3-bis(4-methylphenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 1,3-bis(4-methylphenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-2,3'-indole]-2'-one is Cc1ccc(N2CCN(c3ccc(C)cc3)C23C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc23)cc1.
What is the InChIKey of 1,3-bis(4-methylphenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-2,3'-indole]-2'-one?
The InChIKey is HWJYXOZCTSMJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F3N3O/c1-22-10-14-26(15-11-22)37-18-19-38(27-16-12-23(2)13-17-27)31(37)28-8-3-4-9-29(28)36(30(31)39)21-24-6-5-7-25(20-24)32(33,34)35/h3-17,20H,18-19,21H2,1-2H3.
What are the key properties of 1,3-bis(4-methylphenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-2,3'-indole]-2'-one?
1,3-bis(4-methylphenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-2,3'-indole]-2'-one has a molecular weight of 527.59 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylphenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 5306160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).