3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole

C151H155N13O2S2 — CID 161129412

IUPAC3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole
SMILESCC(C)(C)c1cccc(-c2cc(-c3ccccc3)[nH]n2)c1.CC(C)(C)c1cccc(-c2cnc(-c3ccccc3)[nH]2)c1.CC(C)(C)c1cccc(-c2cnc(-c3ccccc3)o2)c1.CC(C)(C)c1cccc(-c2cnc(-c3ccccc3)s2)c1.CC(C)(C)c1cccc(-c2ncc(-c3ccccc3)[nH]2)c1.CC(C)(C)c1cccc(-c2ncc(-c3ccccc3)o2)c1.CC(C)(C)c1cccc(-c2ncc(-c3ccccc3)s2)c1.CC(C)(C)c1cccc(-c2ncc(-c3cccnc3)[nH]2)c1
InChIInChI=1S/3C19H20N2.2C19H19NO.2C19H19NS.C18H19N3/c1-19(2,3)16-11-7-10-15(12-16)17-13-20-18(21-17)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)18-20-13-17(21-18)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)18-13-17(20-21-18)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)17-13-20-18(21-17)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)18-20-13-17(21-18)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)17-13-20-18(21-17)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)18-20-13-17(21-18)14-8-5-4-6-9-14;1-18(2,3)15-8-4-6-13(10-15)17-20-12-16(21-17)14-7-5-9-19-11-14/h3*4-13H,1-3H3,(H,20,21);4*4-13H,1-3H3;4-12H,1-3H3,(H,20,21)
InChIKeyULZFPZXDEORODR-UHFFFAOYSA-N
MW2248.12 g/mol
LogP41.72
Rot. Bonds16

About 3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole

3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole (PubChem CID 161129412) has the molecular formula C151H155N13O2S2 and a molecular weight of 2248.12 g/mol. Its IUPAC name is 3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole
PubChem CID161129412
Molecular FormulaC151H155N13O2S2
Molecular Weight2248.12 g/mol
Exact Mass2246.19
IUPAC Name3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole
SMILESCC(C)(C)c1cccc(-c2cc(-c3ccccc3)[nH]n2)c1.CC(C)(C)c1cccc(-c2cnc(-c3ccccc3)[nH]2)c1.CC(C)(C)c1cccc(-c2cnc(-c3ccccc3)o2)c1.CC(C)(C)c1cccc(-c2cnc(-c3ccccc3)s2)c1.CC(C)(C)c1cccc(-c2ncc(-c3ccccc3)[nH]2)c1.CC(C)(C)c1cccc(-c2ncc(-c3ccccc3)o2)c1.CC(C)(C)c1cccc(-c2ncc(-c3ccccc3)s2)c1.CC(C)(C)c1cccc(-c2ncc(-c3cccnc3)[nH]2)c1
InChIInChI=1S/3C19H20N2.2C19H19NO.2C19H19NS.C18H19N3/c1-19(2,3)16-11-7-10-15(12-16)17-13-20-18(21-17)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)18-20-13-17(21-18)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)18-13-17(20-21-18)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)17-13-20-18(21-17)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)18-20-13-17(21-18)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)17-13-20-18(21-17)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)18-20-13-17(21-18)14-8-5-4-6-9-14;1-18(2,3)15-8-4-6-13(10-15)17-20-12-16(21-17)14-7-5-9-19-11-14/h3*4-13H,1-3H3,(H,20,21);4*4-13H,1-3H3;4-12H,1-3H3,(H,20,21)
InChIKeyULZFPZXDEORODR-UHFFFAOYSA-N
XLogP41.72
TPSA205.45 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms168
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002248.12
LogP ≤ 541.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole?
The IUPAC name of 3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole (CID 161129412) is 3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole is CC(C)(C)c1cccc(-c2cc(-c3ccccc3)[nH]n2)c1.CC(C)(C)c1cccc(-c2cnc(-c3ccccc3)[nH]2)c1.CC(C)(C)c1cccc(-c2cnc(-c3ccccc3)o2)c1.CC(C)(C)c1cccc(-c2cnc(-c3ccccc3)s2)c1.CC(C)(C)c1cccc(-c2ncc(-c3ccccc3)[nH]2)c1.CC(C)(C)c1cccc(-c2ncc(-c3ccccc3)o2)c1.CC(C)(C)c1cccc(-c2ncc(-c3ccccc3)s2)c1.CC(C)(C)c1cccc(-c2ncc(-c3cccnc3)[nH]2)c1.
What is the InChIKey of 3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole?
The InChIKey is ULZFPZXDEORODR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H20N2.2C19H19NO.2C19H19NS.C18H19N3/c1-19(2,3)16-11-7-10-15(12-16)17-13-20-18(21-17)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)18-20-13-17(21-18)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)18-13-17(20-21-18)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)17-13-20-18(21-17)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)18-20-13-17(21-18)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)17-13-20-18(21-17)14-8-5-4-6-9-14;1-19(2,3)16-11-7-10-15(12-16)18-20-13-17(21-18)14-8-5-4-6-9-14;1-18(2,3)15-8-4-6-13(10-15)17-20-12-16(21-17)14-7-5-9-19-11-14/h3*4-13H,1-3H3,(H,20,21);4*4-13H,1-3H3;4-12H,1-3H3,(H,20,21).
What are the key properties of 3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole?
3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole has a molecular weight of 2248.12 g/mol, XLogP of 41.72, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-tert-butylphenyl)-1H-imidazol-5-yl]pyridine;2-(3-tert-butylphenyl)-5-phenyl-1H-imidazole;5-(3-tert-butylphenyl)-2-phenyl-1H-imidazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-oxazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-oxazole;3-(3-tert-butylphenyl)-5-phenyl-1H-pyrazole;2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole;5-(3-tert-butylphenyl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 161129412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).