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

C16H16N2 — CID 59655416

IUPAC(4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C16H16N2/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11,15-16H,1H3,(H,17,18)/t15-,16+
InChIKeyLZURKQJEUOBPEP-IYBDPMFKSA-N
MW236.32 g/mol
LogP3.49
Rot. Bonds2

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

(4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 59655416) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID59655416
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name(4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C16H16N2/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11,15-16H,1H3,(H,17,18)/t15-,16+
InChIKeyLZURKQJEUOBPEP-IYBDPMFKSA-N
XLogP3.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 59655416) is (4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydro-1H-imidazole is CC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1.
What is the InChIKey of (4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is LZURKQJEUOBPEP-IYBDPMFKSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11,15-16H,1H3,(H,17,18)/t15-,16+.
What are the key properties of (4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 236.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59655416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).