(4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine

C36H34N2 — CID 134942689

IUPAC(4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine
SMILESCc1cc(C)c(N2CN(c3ccccc3-c3ccccc3)[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c(C)c1
InChIInChI=1S/C36H34N2/c1-26-23-27(2)34(28(3)24-26)38-25-37(33-22-14-13-21-32(33)29-15-7-4-8-16-29)35(30-17-9-5-10-18-30)36(38)31-19-11-6-12-20-31/h4-24,35-36H,25H2,1-3H3/t35-,36-/m0/s1
InChIKeyJREQYMFXKYGYFA-ZPGRZCPFSA-N
MW494.68 g/mol
LogP9.05
Rot. Bonds5

About (4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine

(4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine (PubChem CID 134942689) has the molecular formula C36H34N2 and a molecular weight of 494.68 g/mol. Its IUPAC name is (4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine.

Molecular Properties

Compound Name(4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine
PubChem CID134942689
Molecular FormulaC36H34N2
Molecular Weight494.68 g/mol
Exact Mass494.27
IUPAC Name(4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine
SMILESCc1cc(C)c(N2CN(c3ccccc3-c3ccccc3)[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c(C)c1
InChIInChI=1S/C36H34N2/c1-26-23-27(2)34(28(3)24-26)38-25-37(33-22-14-13-21-32(33)29-15-7-4-8-16-29)35(30-17-9-5-10-18-30)36(38)31-19-11-6-12-20-31/h4-24,35-36H,25H2,1-3H3/t35-,36-/m0/s1
InChIKeyJREQYMFXKYGYFA-ZPGRZCPFSA-N
XLogP9.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.68
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium tetrafluoroborate
CID 171371417
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
copper;(2S,3S)-2,3-diphenyl-6-(2,4,6-trimethylphenyl)-3,5-dihydro-2H-imidazo[1,2-c]quinazolin-5-ide;chloride
CID 87254270
CID 59380818
CID 59380818
(2S,3S)-2,3-diphenyl-1,4-bis[(2,4,6-trimethylphenyl)sulfonyl]-1,4-diazepan-6-one
CID 11093403
2,3-dimethyl-1-(2-phenylphenyl)piperidin-4-one
CID 79397807
CID 139244826
CID 139244826
2-phenyl-1-(2,4,6-trimethylphenyl)pyrrole
CID 101477910
2,3-diphenyl-6-(2,4,6-trimethylphenyl)-1,2,3,5-tetrahydroimidazo[1,2-c]quinazolin-4-ium tetrafluoroborate
CID 170458253
4,5-dibutyl-2-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;2-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;2-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine;2-methyl-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;2-methyl-4,5-diphenyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine;2,4,5-trimethyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 159847161
1,2,5-trimethyl-3-phenylbenzene;hydrate
CID 130423762

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine?
The IUPAC name of (4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine (CID 134942689) is (4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine.
What is the SMILES notation for (4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine?
The canonical SMILES for (4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine is Cc1cc(C)c(N2CN(c3ccccc3-c3ccccc3)[C@@H](c3ccccc3)[C@@H]2c2ccccc2)c(C)c1.
What is the InChIKey of (4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine?
The InChIKey is JREQYMFXKYGYFA-ZPGRZCPFSA-N. The full InChI is InChI=1S/C36H34N2/c1-26-23-27(2)34(28(3)24-26)38-25-37(33-22-14-13-21-32(33)29-15-7-4-8-16-29)35(30-17-9-5-10-18-30)36(38)31-19-11-6-12-20-31/h4-24,35-36H,25H2,1-3H3/t35-,36-/m0/s1.
What are the key properties of (4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine?
(4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine has a molecular weight of 494.68 g/mol, XLogP of 9.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-diphenyl-1-(2-phenylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidine is sourced from PubChem (CID 134942689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).