ethane;2,4,5-triphenyl-4H-imidazole

C29H40N2 — CID 158444509

IUPACethane;2,4,5-triphenyl-4H-imidazole
SMILESCC.CC.CC.CC.c1ccc(C2=NC(c3ccccc3)C(c3ccccc3)=N2)cc1
InChIInChI=1S/C21H16N2.4C2H6/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;4*1-2/h1-15,19H;4*1-2H3
InChIKeyHDFKILFJVAGKCT-UHFFFAOYSA-N
MW416.65 g/mol
LogP8.78
Rot. Bonds3

About ethane;2,4,5-triphenyl-4H-imidazole

ethane;2,4,5-triphenyl-4H-imidazole (PubChem CID 158444509) has the molecular formula C29H40N2 and a molecular weight of 416.65 g/mol. Its IUPAC name is ethane;2,4,5-triphenyl-4H-imidazole.

Molecular Properties

Compound Nameethane;2,4,5-triphenyl-4H-imidazole
PubChem CID158444509
Molecular FormulaC29H40N2
Molecular Weight416.65 g/mol
Exact Mass416.32
IUPAC Nameethane;2,4,5-triphenyl-4H-imidazole
SMILESCC.CC.CC.CC.c1ccc(C2=NC(c3ccccc3)C(c3ccccc3)=N2)cc1
InChIInChI=1S/C21H16N2.4C2H6/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;4*1-2/h1-15,19H;4*1-2H3
InChIKeyHDFKILFJVAGKCT-UHFFFAOYSA-N
XLogP8.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.65
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride
CID 173244045
3,5-diphenyl-2,4-diazabicyclo[4.2.0]octa-2,4-diene
CID 163800958
(2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine
CID 138980263
2-[3-[(4R)-4,5-bis(4-methylphenyl)-4H-imidazol-2-yl]phenyl]-4,5-bis(4-methylphenyl)-1H-imidazole
CID 98376115
1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone
CID 102438897
2-[4-[4-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]phenyl]-5-methyl-4,6-diphenyl-4,5-dihydropyrimidine
CID 146646764
[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]hydrazine
CID 1276082
(2S)-2,4-diphenyl-2H-1,3,5-thiadiazin-6-amine
CID 6940266
(2R)-2,4-diphenyl-2H-1,3,5-thiadiazin-6-amine
CID 6940267
2-chloro-6-(3-phenyl-2H-azirin-2-yl)pyridine;ethane
CID 90732966
2,4,6-triphenyl-2H-1,3,5-triazin-1-amine
CID 151330354
6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine
CID 90267623

Frequently Asked Questions

What is the IUPAC name of ethane;2,4,5-triphenyl-4H-imidazole?
The IUPAC name of ethane;2,4,5-triphenyl-4H-imidazole (CID 158444509) is ethane;2,4,5-triphenyl-4H-imidazole.
What is the SMILES notation for ethane;2,4,5-triphenyl-4H-imidazole?
The canonical SMILES for ethane;2,4,5-triphenyl-4H-imidazole is CC.CC.CC.CC.c1ccc(C2=NC(c3ccccc3)C(c3ccccc3)=N2)cc1.
What is the InChIKey of ethane;2,4,5-triphenyl-4H-imidazole?
The InChIKey is HDFKILFJVAGKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2.4C2H6/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;4*1-2/h1-15,19H;4*1-2H3.
What are the key properties of ethane;2,4,5-triphenyl-4H-imidazole?
ethane;2,4,5-triphenyl-4H-imidazole has a molecular weight of 416.65 g/mol, XLogP of 8.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,5-triphenyl-4H-imidazole is sourced from PubChem (CID 158444509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).