1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole

C30H28N2 — CID 174979236

IUPAC1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole
SMILESCC1N(Cc2ccccc2)C(c2ccccc2)=C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C30H28N2/c1-24-31(22-25-14-6-2-7-15-25)29(27-18-10-4-11-19-27)30(28-20-12-5-13-21-28)32(24)23-26-16-8-3-9-17-26/h2-21,24H,22-23H2,1H3
InChIKeyJKDOVCMKYCWWMJ-UHFFFAOYSA-N
MW416.57 g/mol
LogP6.88
Rot. Bonds6

About 1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole

1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole (PubChem CID 174979236) has the molecular formula C30H28N2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole.

Molecular Properties

Compound Name1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole
PubChem CID174979236
Molecular FormulaC30H28N2
Molecular Weight416.57 g/mol
Exact Mass416.23
IUPAC Name1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole
SMILESCC1N(Cc2ccccc2)C(c2ccccc2)=C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C30H28N2/c1-24-31(22-25-14-6-2-7-15-25)29(27-18-10-4-11-19-27)30(28-20-12-5-13-21-28)32(24)23-26-16-8-3-9-17-26/h2-21,24H,22-23H2,1H3
InChIKeyJKDOVCMKYCWWMJ-UHFFFAOYSA-N
XLogP6.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,3-dibenzyl-2,4,5-trimethyl-2H-imidazole;hydrochloride
CID 141084950
1-benzyl-2-(3,5-dimethylphenyl)-3-ethyl-4,5-diphenyl-2H-imidazole
CID 175317276
1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide
CID 173073256
1-benzyl-4-methyl-3-methylideneazetidin-2-one
CID 12680777
2,4,6,8,10,12-hexabenzyl-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodec-1(7)-ene
CID 142760875
1-benzyl-2,3-dimethyl-2H-imidazole
CID 20534969
1,4-dibenzyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
CID 66575696
3-benzyl-2-methyl-2H-1,3-benzothiazole;hydrobromide
CID 172789323
(2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
CID 7289774
(2S)-1-benzyl-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one
CID 26885866
(3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one
CID 15624083
(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole?
The IUPAC name of 1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole (CID 174979236) is 1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole.
What is the SMILES notation for 1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole?
The canonical SMILES for 1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole is CC1N(Cc2ccccc2)C(c2ccccc2)=C(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole?
The InChIKey is JKDOVCMKYCWWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2/c1-24-31(22-25-14-6-2-7-15-25)29(27-18-10-4-11-19-27)30(28-20-12-5-13-21-28)32(24)23-26-16-8-3-9-17-26/h2-21,24H,22-23H2,1H3.
What are the key properties of 1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole?
1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole has a molecular weight of 416.57 g/mol, XLogP of 6.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole is sourced from PubChem (CID 174979236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).