2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole

C31H26N4 — CID 67847310

IUPAC2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole
SMILESCc1[nH]c(-c2ccccc2)nc1-c1ccccc1.c1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C16H14N2.C15H12N2/c1-12-15(13-8-4-2-5-9-13)18-16(17-12)14-10-6-3-7-11-14;1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h2-11H,1H3,(H,17,18);1-11H,(H,16,17)
InChIKeyNHTRZIVRYXPDJY-UHFFFAOYSA-N
MW454.58 g/mol
LogP7.80
Rot. Bonds4

About 2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole

2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole (PubChem CID 67847310) has the molecular formula C31H26N4 and a molecular weight of 454.58 g/mol. Its IUPAC name is 2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole
PubChem CID67847310
Molecular FormulaC31H26N4
Molecular Weight454.58 g/mol
Exact Mass454.22
IUPAC Name2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole
SMILESCc1[nH]c(-c2ccccc2)nc1-c1ccccc1.c1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C16H14N2.C15H12N2/c1-12-15(13-8-4-2-5-9-13)18-16(17-12)14-10-6-3-7-11-14;1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h2-11H,1H3,(H,17,18);1-11H,(H,16,17)
InChIKeyNHTRZIVRYXPDJY-UHFFFAOYSA-N
XLogP7.80
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.58
LogP ≤ 57.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole?
The IUPAC name of 2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole (CID 67847310) is 2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole.
What is the SMILES notation for 2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole?
The canonical SMILES for 2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole is Cc1[nH]c(-c2ccccc2)nc1-c1ccccc1.c1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole?
The InChIKey is NHTRZIVRYXPDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2.C15H12N2/c1-12-15(13-8-4-2-5-9-13)18-16(17-12)14-10-6-3-7-11-14;1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h2-11H,1H3,(H,17,18);1-11H,(H,16,17).
What are the key properties of 2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole?
2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole has a molecular weight of 454.58 g/mol, XLogP of 7.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole is sourced from PubChem (CID 67847310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).