(4S,5R)-1,3,4,5-tetraphenylimidazolidine

C27H24N2 — CID 15727757

IUPAC(4S,5R)-1,3,4,5-tetraphenylimidazolidine
SMILESc1ccc([C@@H]2[C@H](c3ccccc3)N(c3ccccc3)CN2c2ccccc2)cc1
InChIInChI=1S/C27H24N2/c1-5-13-22(14-6-1)26-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)21-28(26)24-17-9-3-10-18-24/h1-20,26-27H,21H2/t26-,27+
InChIKeyKHNWSWRVYFCJRO-MKPDMIMOSA-N
MW376.50 g/mol
LogP6.45
Rot. Bonds4

About (4S,5R)-1,3,4,5-tetraphenylimidazolidine

(4S,5R)-1,3,4,5-tetraphenylimidazolidine (PubChem CID 15727757) has the molecular formula C27H24N2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (4S,5R)-1,3,4,5-tetraphenylimidazolidine.

Molecular Properties

Compound Name(4S,5R)-1,3,4,5-tetraphenylimidazolidine
PubChem CID15727757
Molecular FormulaC27H24N2
Molecular Weight376.50 g/mol
Exact Mass376.19
IUPAC Name(4S,5R)-1,3,4,5-tetraphenylimidazolidine
SMILESc1ccc([C@@H]2[C@H](c3ccccc3)N(c3ccccc3)CN2c2ccccc2)cc1
InChIInChI=1S/C27H24N2/c1-5-13-22(14-6-1)26-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)21-28(26)24-17-9-3-10-18-24/h1-20,26-27H,21H2/t26-,27+
InChIKeyKHNWSWRVYFCJRO-MKPDMIMOSA-N
XLogP6.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1,3,4,5-tetraphenylimidazolidine?
The IUPAC name of (4S,5R)-1,3,4,5-tetraphenylimidazolidine (CID 15727757) is (4S,5R)-1,3,4,5-tetraphenylimidazolidine.
What is the SMILES notation for (4S,5R)-1,3,4,5-tetraphenylimidazolidine?
The canonical SMILES for (4S,5R)-1,3,4,5-tetraphenylimidazolidine is c1ccc([C@@H]2[C@H](c3ccccc3)N(c3ccccc3)CN2c2ccccc2)cc1.
What is the InChIKey of (4S,5R)-1,3,4,5-tetraphenylimidazolidine?
The InChIKey is KHNWSWRVYFCJRO-MKPDMIMOSA-N. The full InChI is InChI=1S/C27H24N2/c1-5-13-22(14-6-1)26-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)21-28(26)24-17-9-3-10-18-24/h1-20,26-27H,21H2/t26-,27+.
What are the key properties of (4S,5R)-1,3,4,5-tetraphenylimidazolidine?
(4S,5R)-1,3,4,5-tetraphenylimidazolidine has a molecular weight of 376.50 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1,3,4,5-tetraphenylimidazolidine is sourced from PubChem (CID 15727757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).