(4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole

C21H24N2 — CID 102198802

IUPAC(4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESc1ccc([C@H]2N=C(C3CCCCC3)N[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C21H24N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-2,4-7,10-13,18-20H,3,8-9,14-15H2,(H,22,23)/t19-,20-/m1/s1
InChIKeyMBOGKJJELWQGHB-WOJBJXKFSA-N
MW304.44 g/mol
LogP5.05
Rot. Bonds3

About (4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole

(4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 102198802) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is (4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID102198802
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name(4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESc1ccc([C@H]2N=C(C3CCCCC3)N[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C21H24N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-2,4-7,10-13,18-20H,3,8-9,14-15H2,(H,22,23)/t19-,20-/m1/s1
InChIKeyMBOGKJJELWQGHB-WOJBJXKFSA-N
XLogP5.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 102198802) is (4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole is c1ccc([C@H]2N=C(C3CCCCC3)N[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is MBOGKJJELWQGHB-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H24N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-2,4-7,10-13,18-20H,3,8-9,14-15H2,(H,22,23)/t19-,20-/m1/s1.
What are the key properties of (4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 304.44 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 102198802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).