(4R,5S)-1-cyclohexyl-4,5-diphenyl-4,5-dihydroimidazole

C21H24N2 — CID 131856837

IUPAC(4R,5S)-1-cyclohexyl-4,5-diphenyl-4,5-dihydroimidazole
SMILESC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C21H24N2/c1-4-10-17(11-5-1)20-21(18-12-6-2-7-13-18)23(16-22-20)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19-21H,3,8-9,14-15H2/t20-,21+/m1/s1
InChIKeyMJHHHHFAJYUXES-RTWAWAEBSA-N
MW304.44 g/mol
LogP5.15
Rot. Bonds3

About (4R,5S)-1-cyclohexyl-4,5-diphenyl-4,5-dihydroimidazole

(4R,5S)-1-cyclohexyl-4,5-diphenyl-4,5-dihydroimidazole (PubChem CID 131856837) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is (4R,5S)-1-cyclohexyl-4,5-diphenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name(4R,5S)-1-cyclohexyl-4,5-diphenyl-4,5-dihydroimidazole
PubChem CID131856837
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name(4R,5S)-1-cyclohexyl-4,5-diphenyl-4,5-dihydroimidazole
SMILESC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C21H24N2/c1-4-10-17(11-5-1)20-21(18-12-6-2-7-13-18)23(16-22-20)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19-21H,3,8-9,14-15H2/t20-,21+/m1/s1
InChIKeyMJHHHHFAJYUXES-RTWAWAEBSA-N
XLogP5.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1-cyclohexyl-4,5-diphenyl-4,5-dihydroimidazole?
The IUPAC name of (4R,5S)-1-cyclohexyl-4,5-diphenyl-4,5-dihydroimidazole (CID 131856837) is (4R,5S)-1-cyclohexyl-4,5-diphenyl-4,5-dihydroimidazole.
What is the SMILES notation for (4R,5S)-1-cyclohexyl-4,5-diphenyl-4,5-dihydroimidazole?
The canonical SMILES for (4R,5S)-1-cyclohexyl-4,5-diphenyl-4,5-dihydroimidazole is C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1C1CCCCC1.
What is the InChIKey of (4R,5S)-1-cyclohexyl-4,5-diphenyl-4,5-dihydroimidazole?
The InChIKey is MJHHHHFAJYUXES-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H24N2/c1-4-10-17(11-5-1)20-21(18-12-6-2-7-13-18)23(16-22-20)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19-21H,3,8-9,14-15H2/t20-,21+/m1/s1.
What are the key properties of (4R,5S)-1-cyclohexyl-4,5-diphenyl-4,5-dihydroimidazole?
(4R,5S)-1-cyclohexyl-4,5-diphenyl-4,5-dihydroimidazole has a molecular weight of 304.44 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1-cyclohexyl-4,5-diphenyl-4,5-dihydroimidazole is sourced from PubChem (CID 131856837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).