(4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole

C27H22N2 — CID 139040757

IUPAC(4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole
SMILESc1ccc(C2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C27H22N2/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)29(24-19-11-4-12-20-24)27(28-25)23-17-9-3-10-18-23/h1-20,25-26H/t25-,26-/m0/s1
InChIKeyJIJNEVWJGHUETD-UIOOFZCWSA-N
MW374.49 g/mol
LogP6.44
Rot. Bonds4

About (4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole

(4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole (PubChem CID 139040757) has the molecular formula C27H22N2 and a molecular weight of 374.49 g/mol. Its IUPAC name is (4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name(4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole
PubChem CID139040757
Molecular FormulaC27H22N2
Molecular Weight374.49 g/mol
Exact Mass374.18
IUPAC Name(4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole
SMILESc1ccc(C2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C27H22N2/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)29(24-19-11-4-12-20-24)27(28-25)23-17-9-3-10-18-23/h1-20,25-26H/t25-,26-/m0/s1
InChIKeyJIJNEVWJGHUETD-UIOOFZCWSA-N
XLogP6.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-2-(2-fluorophenyl)-1,4,5-triphenyl-4,5-dihydroimidazole
CID 135049713
(4S,5S)-1-(4-methylphenyl)-2-[3-[(4S,5S)-1-(4-methylphenyl)-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-5-nitrophenyl]-4,5-diphenyl-4,5-dihydroimidazole
CID 71653783
(1S,2S)-1,2-diphenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
CID 162350962
(4S,5S)-1-benzyl-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydroimidazole
CID 53243818
4-[1-(4-nitrophenyl)-2,5-diphenyl-4,5-dihydroimidazol-4-yl]morpholine
CID 13117641
5,6-bis(4-chlorophenyl)-3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 58006794
3-methoxy-2,4,5-triphenyl-3H-1,2,4-triazole
CID 2733187
(4S,5R)-1-benzyl-5-ethenyl-2,4-diphenyl-4,5-dihydropyrimidin-6-one
CID 100964466
(5aS,6S)-5,6,7-triphenyl-2,3,5a,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one
CID 7412044
1,5,6-triphenyl-1,3-diazinane-2,4-dione
CID 602445
(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956
(4R,5R)-1-benzyl-2-[3-[(4R,5R)-1-benzyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]-2-iodophenyl]-4,5-diphenyl-4,5-dihydroimidazole
CID 135029345

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole?
The IUPAC name of (4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole (CID 139040757) is (4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole.
What is the SMILES notation for (4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole?
The canonical SMILES for (4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole is c1ccc(C2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2c2ccccc2)cc1.
What is the InChIKey of (4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole?
The InChIKey is JIJNEVWJGHUETD-UIOOFZCWSA-N. The full InChI is InChI=1S/C27H22N2/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)29(24-19-11-4-12-20-24)27(28-25)23-17-9-3-10-18-23/h1-20,25-26H/t25-,26-/m0/s1.
What are the key properties of (4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole?
(4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole has a molecular weight of 374.49 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1,2,4,5-tetraphenyl-4,5-dihydroimidazole is sourced from PubChem (CID 139040757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).