2-[2-(4,5-diphenylimidazolidin-2-yl)phenyl]-4,5-diphenylimidazolidine

C36H34N4 — CID 129120209

IUPAC2-[2-(4,5-diphenylimidazolidin-2-yl)phenyl]-4,5-diphenylimidazolidine
SMILESc1ccc(C2NC(c3ccccc3C3NC(c4ccccc4)C(c4ccccc4)N3)NC2c2ccccc2)cc1
InChIInChI=1S/C36H34N4/c1-5-15-25(16-6-1)31-32(26-17-7-2-8-18-26)38-35(37-31)29-23-13-14-24-30(29)36-39-33(27-19-9-3-10-20-27)34(40-36)28-21-11-4-12-22-28/h1-24,31-40H
InChIKeyMUFZEZJJORUJRY-UHFFFAOYSA-N
MW522.70 g/mol
LogP7.03
Rot. Bonds6

About 2-[2-(4,5-diphenylimidazolidin-2-yl)phenyl]-4,5-diphenylimidazolidine

2-[2-(4,5-diphenylimidazolidin-2-yl)phenyl]-4,5-diphenylimidazolidine (PubChem CID 129120209) has the molecular formula C36H34N4 and a molecular weight of 522.70 g/mol. Its IUPAC name is 2-[2-(4,5-diphenylimidazolidin-2-yl)phenyl]-4,5-diphenylimidazolidine.

Molecular Properties

Compound Name2-[2-(4,5-diphenylimidazolidin-2-yl)phenyl]-4,5-diphenylimidazolidine
PubChem CID129120209
Molecular FormulaC36H34N4
Molecular Weight522.70 g/mol
Exact Mass522.28
IUPAC Name2-[2-(4,5-diphenylimidazolidin-2-yl)phenyl]-4,5-diphenylimidazolidine
SMILESc1ccc(C2NC(c3ccccc3C3NC(c4ccccc4)C(c4ccccc4)N3)NC2c2ccccc2)cc1
InChIInChI=1S/C36H34N4/c1-5-15-25(16-6-1)31-32(26-17-7-2-8-18-26)38-35(37-31)29-23-13-14-24-30(29)36-39-33(27-19-9-3-10-20-27)34(40-36)28-21-11-4-12-22-28/h1-24,31-40H
InChIKeyMUFZEZJJORUJRY-UHFFFAOYSA-N
XLogP7.03
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.70
LogP ≤ 57.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Hydantoin, 3,3'-(1,4-piperazinediyldimethylene)bis(5,5-diphenyl-2,4-dithio-
CID 3038243
(2S)-3-phenyl-N2-[[(2S)-1-[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-[2-(4-phenylphenyl)ethylamino]propyl]amino]propyl]pyrrolidin-2-yl]methyl]propane-1,2-diamine
CID 46883233
2,4,5-Triphenylimidazolidine
CID 45356985
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)-2-[2-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]phenyl]-1,3-dimethyl-4,5-diphenylimidazolidine
CID 102182826
(4S,5S)-4-[2-[[2-[(4S,5S)-1,3-dimethyl-5-phenylimidazolidin-4-yl]phenyl]diselanyl]phenyl]-1,3-dimethyl-5-phenylimidazolidine
CID 10963366
(1R,2R)-N1,N2-Bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine
CID 11271849
1,3-Dibenzyl-2-(1,3-dibenzylimidazolidin-2-ylidene)imidazolidine
CID 12782482
(1S,2S)-N1,N2-bis(2,6-dimethylbenzyl)-1,2-diphenylethane-1,2-diamine
CID 118683930
N2-trityl-N1-[2-[[2-(tritylamino)cyclohexyl]amino]ethyl]cyclohexane-1,2-diamine
CID 384594
(1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane
CID 160931506

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-diphenylimidazolidin-2-yl)phenyl]-4,5-diphenylimidazolidine?
The IUPAC name of 2-[2-(4,5-diphenylimidazolidin-2-yl)phenyl]-4,5-diphenylimidazolidine (CID 129120209) is 2-[2-(4,5-diphenylimidazolidin-2-yl)phenyl]-4,5-diphenylimidazolidine.
What is the SMILES notation for 2-[2-(4,5-diphenylimidazolidin-2-yl)phenyl]-4,5-diphenylimidazolidine?
The canonical SMILES for 2-[2-(4,5-diphenylimidazolidin-2-yl)phenyl]-4,5-diphenylimidazolidine is c1ccc(C2NC(c3ccccc3C3NC(c4ccccc4)C(c4ccccc4)N3)NC2c2ccccc2)cc1.
What is the InChIKey of 2-[2-(4,5-diphenylimidazolidin-2-yl)phenyl]-4,5-diphenylimidazolidine?
The InChIKey is MUFZEZJJORUJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N4/c1-5-15-25(16-6-1)31-32(26-17-7-2-8-18-26)38-35(37-31)29-23-13-14-24-30(29)36-39-33(27-19-9-3-10-20-27)34(40-36)28-21-11-4-12-22-28/h1-24,31-40H.
What are the key properties of 2-[2-(4,5-diphenylimidazolidin-2-yl)phenyl]-4,5-diphenylimidazolidine?
2-[2-(4,5-diphenylimidazolidin-2-yl)phenyl]-4,5-diphenylimidazolidine has a molecular weight of 522.70 g/mol, XLogP of 7.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-diphenylimidazolidin-2-yl)phenyl]-4,5-diphenylimidazolidine is sourced from PubChem (CID 129120209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).