(4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine

C40H42N4 — CID 102182826

IUPAC(4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine
SMILESCN1C(c2ccccc2C2N(C)[C@@H](c3ccccc3)[C@H](c3ccccc3)N2C)N(C)[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C40H42N4/c1-41-35(29-19-9-5-10-20-29)36(30-21-11-6-12-22-30)42(2)39(41)33-27-17-18-28-34(33)40-43(3)37(31-23-13-7-14-24-31)38(44(40)4)32-25-15-8-16-26-32/h5-28,35-40H,1-4H3/t35-,36-,37-,38-/m0/s1
InChIKeyRYSGCXXHPMKBFH-ZQWQDMLBSA-N
MW578.80 g/mol
LogP8.40
Rot. Bonds6

About (4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine

(4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine (PubChem CID 102182826) has the molecular formula C40H42N4 and a molecular weight of 578.80 g/mol. Its IUPAC name is (4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine.

Molecular Properties

Compound Name(4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine
PubChem CID102182826
Molecular FormulaC40H42N4
Molecular Weight578.80 g/mol
Exact Mass578.34
IUPAC Name(4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine
SMILESCN1C(c2ccccc2C2N(C)[C@@H](c3ccccc3)[C@H](c3ccccc3)N2C)N(C)[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C40H42N4/c1-41-35(29-19-9-5-10-20-29)36(30-21-11-6-12-22-30)42(2)39(41)33-27-17-18-28-34(33)40-43(3)37(31-23-13-7-14-24-31)38(44(40)4)32-25-15-8-16-26-32/h5-28,35-40H,1-4H3/t35-,36-,37-,38-/m0/s1
InChIKeyRYSGCXXHPMKBFH-ZQWQDMLBSA-N
XLogP8.40
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.80
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4,7,8,10-hexabenzyloctahydro-1H-5,2,6-(epiminomethanetriylimino)imidazo[4,5-b]pyrazine
CID 389847
(4S,5S)-2-(((4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino)-1,3-dimethyl-4,5-diphenyl-4,5-dihydro-1H-imidazol-3-ium chloride
CID 53235783
ST50993793
CID 5071281
N,N'-dibenzyl-N,N'-bis(1,3-dibenzylimidazolidin-2-yl)ethane-1,2-diamine
CID 5249063
1,1',3,3'-Tetrabenzyl-2,2'-biimidazolidine
CID 13462185
(4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine
CID 10963366
1,3,5-Tribenzhydryl-1,3,5-triazinane
CID 11060963
1,3-Dibenzyl-4,5-diphenylimidazolidine
CID 12428282
1,3-Dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine
CID 12782482
(4S,5S)-N-[(4S,5S)-1,3-dimethyl-4,5-diphenyl-4,5-dihydroimidazol-1-ium-2-yl]-1,3-dimethyl-4,5-diphenylimidazolidin-2-imine
CID 53235784
(4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenylimidazolidin-1-yl]methyl]phenyl]methyl]-4,5-diphenylimidazolidine
CID 165416342
2-(Anthracen-9-yl)-1,3-dibenzylimidazolidine
CID 4468123

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine?
The IUPAC name of (4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine (CID 102182826) is (4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine.
What is the SMILES notation for (4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine?
The canonical SMILES for (4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine is CN1C(c2ccccc2C2N(C)[C@@H](c3ccccc3)[C@H](c3ccccc3)N2C)N(C)[C@@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine?
The InChIKey is RYSGCXXHPMKBFH-ZQWQDMLBSA-N. The full InChI is InChI=1S/C40H42N4/c1-41-35(29-19-9-5-10-20-29)36(30-21-11-6-12-22-30)42(2)39(41)33-27-17-18-28-34(33)40-43(3)37(31-23-13-7-14-24-31)38(44(40)4)32-25-15-8-16-26-32/h5-28,35-40H,1-4H3/t35-,36-,37-,38-/m0/s1.
What are the key properties of (4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine?
(4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine has a molecular weight of 578.80 g/mol, XLogP of 8.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine is sourced from PubChem (CID 102182826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).