(4S)-1-benzyl-4-phenyl-4,5-dihydroimidazole

C16H16N2 — CID 11075424

IUPAC(4S)-1-benzyl-4-phenyl-4,5-dihydroimidazole
SMILESC1=N[C@@H](c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C16H16N2/c1-3-7-14(8-4-1)11-18-12-16(17-13-18)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2/t16-/m1/s1
InChIKeyBMDKSWUPEISFOG-MRXNPFEDSA-N
MW236.32 g/mol
LogP3.27
Rot. Bonds3

About (4S)-1-benzyl-4-phenyl-4,5-dihydroimidazole

(4S)-1-benzyl-4-phenyl-4,5-dihydroimidazole (PubChem CID 11075424) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (4S)-1-benzyl-4-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name(4S)-1-benzyl-4-phenyl-4,5-dihydroimidazole
PubChem CID11075424
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name(4S)-1-benzyl-4-phenyl-4,5-dihydroimidazole
SMILESC1=N[C@@H](c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C16H16N2/c1-3-7-14(8-4-1)11-18-12-16(17-13-18)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2/t16-/m1/s1
InChIKeyBMDKSWUPEISFOG-MRXNPFEDSA-N
XLogP3.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-benzyl-4-phenyl-4,5-dihydroimidazole?
The IUPAC name of (4S)-1-benzyl-4-phenyl-4,5-dihydroimidazole (CID 11075424) is (4S)-1-benzyl-4-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for (4S)-1-benzyl-4-phenyl-4,5-dihydroimidazole?
The canonical SMILES for (4S)-1-benzyl-4-phenyl-4,5-dihydroimidazole is C1=N[C@@H](c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of (4S)-1-benzyl-4-phenyl-4,5-dihydroimidazole?
The InChIKey is BMDKSWUPEISFOG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16N2/c1-3-7-14(8-4-1)11-18-12-16(17-13-18)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2/t16-/m1/s1.
What are the key properties of (4S)-1-benzyl-4-phenyl-4,5-dihydroimidazole?
(4S)-1-benzyl-4-phenyl-4,5-dihydroimidazole has a molecular weight of 236.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-benzyl-4-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 11075424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).