(4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine

C29H28N2O2 — CID 10961096

IUPAC(4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine
SMILESCOc1ccc([C@@H]2[C@H](c3ccc(OC)cc3)N(c3ccccc3)CN2c2ccccc2)cc1
InChIInChI=1S/C29H28N2O2/c1-32-26-17-13-22(14-18-26)28-29(23-15-19-27(33-2)20-16-23)31(25-11-7-4-8-12-25)21-30(28)24-9-5-3-6-10-24/h3-20,28-29H,21H2,1-2H3/t28-,29+
InChIKeyAEECRSKFUFPPSJ-ISILISOKSA-N
MW436.56 g/mol
LogP6.47
Rot. Bonds6

About (4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine

(4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine (PubChem CID 10961096) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is (4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine.

Molecular Properties

Compound Name(4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine
PubChem CID10961096
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC Name(4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine
SMILESCOc1ccc([C@@H]2[C@H](c3ccc(OC)cc3)N(c3ccccc3)CN2c2ccccc2)cc1
InChIInChI=1S/C29H28N2O2/c1-32-26-17-13-22(14-18-26)28-29(23-15-19-27(33-2)20-16-23)31(25-11-7-4-8-12-25)21-30(28)24-9-5-3-6-10-24/h3-20,28-29H,21H2,1-2H3/t28-,29+
InChIKeyAEECRSKFUFPPSJ-ISILISOKSA-N
XLogP6.47
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5R)-1,3,4,5-tetraphenylimidazolidine
CID 15727757
(2R)-2-(4-methoxyphenyl)-1-phenylpyrrolidine
CID 134967090
2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid
CID 53435681
(1S,3R,4S)-3-(4-methoxyphenyl)-2-phenyl-2-azabicyclo[2.2.2]octan-5-one
CID 102491604
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
7,14-bis(4-methoxyphenyl)-4,11-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 5234641
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(2R,3R)-2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)-3-phenylazetidine
CID 10495239
3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine
CID 133180239
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine?
The IUPAC name of (4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine (CID 10961096) is (4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine.
What is the SMILES notation for (4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine?
The canonical SMILES for (4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine is COc1ccc([C@@H]2[C@H](c3ccc(OC)cc3)N(c3ccccc3)CN2c2ccccc2)cc1.
What is the InChIKey of (4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine?
The InChIKey is AEECRSKFUFPPSJ-ISILISOKSA-N. The full InChI is InChI=1S/C29H28N2O2/c1-32-26-17-13-22(14-18-26)28-29(23-15-19-27(33-2)20-16-23)31(25-11-7-4-8-12-25)21-30(28)24-9-5-3-6-10-24/h3-20,28-29H,21H2,1-2H3/t28-,29+.
What are the key properties of (4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine?
(4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine has a molecular weight of 436.56 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine is sourced from PubChem (CID 10961096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).