(2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole

C24H23N3 — CID 11382638

IUPAC(2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
SMILESc1ccc(C[C@@H]2CN3C(=N[C@@H](c4ccccc4)[C@@H]3c3ccccc3)N2)cc1
InChIInChI=1S/C24H23N3/c1-4-10-18(11-5-1)16-21-17-27-23(20-14-8-3-9-15-20)22(26-24(27)25-21)19-12-6-2-7-13-19/h1-15,21-23H,16-17H2,(H,25,26)/t21-,22+,23+/m1/s1
InChIKeyGUBVMKPXIWOVBZ-VJBWXMMDSA-N
MW353.47 g/mol
LogP4.36
Rot. Bonds4

About (2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole

(2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole (PubChem CID 11382638) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is (2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole.

Molecular Properties

Compound Name(2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
PubChem CID11382638
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name(2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
SMILESc1ccc(C[C@@H]2CN3C(=N[C@@H](c4ccccc4)[C@@H]3c3ccccc3)N2)cc1
InChIInChI=1S/C24H23N3/c1-4-10-18(11-5-1)16-21-17-27-23(20-14-8-3-9-15-20)22(26-24(27)25-21)19-12-6-2-7-13-19/h1-15,21-23H,16-17H2,(H,25,26)/t21-,22+,23+/m1/s1
InChIKeyGUBVMKPXIWOVBZ-VJBWXMMDSA-N
XLogP4.36
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 135029345
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Frequently Asked Questions

What is the IUPAC name of (2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole?
The IUPAC name of (2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole (CID 11382638) is (2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole.
What is the SMILES notation for (2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole?
The canonical SMILES for (2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole is c1ccc(C[C@@H]2CN3C(=N[C@@H](c4ccccc4)[C@@H]3c3ccccc3)N2)cc1.
What is the InChIKey of (2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole?
The InChIKey is GUBVMKPXIWOVBZ-VJBWXMMDSA-N. The full InChI is InChI=1S/C24H23N3/c1-4-10-18(11-5-1)16-21-17-27-23(20-14-8-3-9-15-20)22(26-24(27)25-21)19-12-6-2-7-13-19/h1-15,21-23H,16-17H2,(H,25,26)/t21-,22+,23+/m1/s1.
What are the key properties of (2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole?
(2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole has a molecular weight of 353.47 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,6S)-2-benzyl-5,6-diphenyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole is sourced from PubChem (CID 11382638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).