(4R,5R)-1,3-bis[bis(2-methylphenyl)methyl]-4,5-diphenylimidazolidine

C45H44N2 — CID 134839594

IUPAC(4R,5R)-1,3-bis[bis(2-methylphenyl)methyl]-4,5-diphenylimidazolidine
SMILESCc1ccccc1C(c1ccccc1C)N1CN(C(c2ccccc2C)c2ccccc2C)[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C45H44N2/c1-32-19-11-15-27-38(32)44(39-28-16-12-20-33(39)2)46-31-47(43(37-25-9-6-10-26-37)42(46)36-23-7-5-8-24-36)45(40-29-17-13-21-34(40)3)41-30-18-14-22-35(41)4/h5-30,42-45H,31H2,1-4H3/t42-,43-/m1/s1
InChIKeyGWIQPIZAGRYQMM-OCQXTOTRSA-N
MW612.86 g/mol
LogP10.86
Rot. Bonds8

About (4R,5R)-1,3-bis[bis(2-methylphenyl)methyl]-4,5-diphenylimidazolidine

(4R,5R)-1,3-bis[bis(2-methylphenyl)methyl]-4,5-diphenylimidazolidine (PubChem CID 134839594) has the molecular formula C45H44N2 and a molecular weight of 612.86 g/mol. Its IUPAC name is (4R,5R)-1,3-bis[bis(2-methylphenyl)methyl]-4,5-diphenylimidazolidine.

Molecular Properties

Compound Name(4R,5R)-1,3-bis[bis(2-methylphenyl)methyl]-4,5-diphenylimidazolidine
PubChem CID134839594
Molecular FormulaC45H44N2
Molecular Weight612.86 g/mol
Exact Mass612.35
IUPAC Name(4R,5R)-1,3-bis[bis(2-methylphenyl)methyl]-4,5-diphenylimidazolidine
SMILESCc1ccccc1C(c1ccccc1C)N1CN(C(c2ccccc2C)c2ccccc2C)[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C45H44N2/c1-32-19-11-15-27-38(32)44(39-28-16-12-20-33(39)2)46-31-47(43(37-25-9-6-10-26-37)42(46)36-23-7-5-8-24-36)45(40-29-17-13-21-34(40)3)41-30-18-14-22-35(41)4/h5-30,42-45H,31H2,1-4H3/t42-,43-/m1/s1
InChIKeyGWIQPIZAGRYQMM-OCQXTOTRSA-N
XLogP10.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.86
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1,3-bis[bis(2-methylphenyl)methyl]-4,5-diphenylimidazolidine?
The IUPAC name of (4R,5R)-1,3-bis[bis(2-methylphenyl)methyl]-4,5-diphenylimidazolidine (CID 134839594) is (4R,5R)-1,3-bis[bis(2-methylphenyl)methyl]-4,5-diphenylimidazolidine.
What is the SMILES notation for (4R,5R)-1,3-bis[bis(2-methylphenyl)methyl]-4,5-diphenylimidazolidine?
The canonical SMILES for (4R,5R)-1,3-bis[bis(2-methylphenyl)methyl]-4,5-diphenylimidazolidine is Cc1ccccc1C(c1ccccc1C)N1CN(C(c2ccccc2C)c2ccccc2C)[C@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4R,5R)-1,3-bis[bis(2-methylphenyl)methyl]-4,5-diphenylimidazolidine?
The InChIKey is GWIQPIZAGRYQMM-OCQXTOTRSA-N. The full InChI is InChI=1S/C45H44N2/c1-32-19-11-15-27-38(32)44(39-28-16-12-20-33(39)2)46-31-47(43(37-25-9-6-10-26-37)42(46)36-23-7-5-8-24-36)45(40-29-17-13-21-34(40)3)41-30-18-14-22-35(41)4/h5-30,42-45H,31H2,1-4H3/t42-,43-/m1/s1.
What are the key properties of (4R,5R)-1,3-bis[bis(2-methylphenyl)methyl]-4,5-diphenylimidazolidine?
(4R,5R)-1,3-bis[bis(2-methylphenyl)methyl]-4,5-diphenylimidazolidine has a molecular weight of 612.86 g/mol, XLogP of 10.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1,3-bis[bis(2-methylphenyl)methyl]-4,5-diphenylimidazolidine is sourced from PubChem (CID 134839594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).