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;5-(3-tert-butylphenyl)-3-phenyl-1,2-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-tert-butyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridine

C188H193N17O3S2 — CID 157381358

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;5-(3-tert-butylphenyl)-3-phenyl-1,2-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-tert-butyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridine
SMILESCC(C)(C)c1cccc(-c2cc(-c3ccccc3)[nH]n2)c1.CC(C)(C)c1cccc(-c2cc(-c3ccccc3)no2)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.CC(C)(C)c1cncc(-c2cc(-c3ccccc3)[nH]n2)c1
InChIInChI=1S/3C19H20N2.3C19H19NO.2C19H19NS.2C18H19N3/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)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;1-18(2,3)15-8-4-6-13(10-15)17-20-12-16(21-17)14-7-5-9-19-11-14;1-18(2,3)15-9-14(11-19-12-15)17-10-16(20-21-17)13-7-5-4-6-8-13/h3*4-13H,1-3H3,(H,20,21);5*4-13H,1-3H3;2*4-12H,1-3H3,(H,20,21)
InChIKeyBKXOQDCKOSZOGI-UHFFFAOYSA-N
MW2802.86 g/mol
LogP51.46
Rot. Bonds20

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;5-(3-tert-butylphenyl)-3-phenyl-1,2-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-tert-butyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridine

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;5-(3-tert-butylphenyl)-3-phenyl-1,2-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-tert-butyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridine (PubChem CID 157381358) has the molecular formula C188H193N17O3S2 and a molecular weight of 2802.86 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;5-(3-tert-butylphenyl)-3-phenyl-1,2-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-tert-butyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridine.

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;5-(3-tert-butylphenyl)-3-phenyl-1,2-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-tert-butyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridine
PubChem CID157381358
Molecular FormulaC188H193N17O3S2
Molecular Weight2802.86 g/mol
Exact Mass2800.49
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;5-(3-tert-butylphenyl)-3-phenyl-1,2-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-tert-butyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridine
SMILESCC(C)(C)c1cccc(-c2cc(-c3ccccc3)[nH]n2)c1.CC(C)(C)c1cccc(-c2cc(-c3ccccc3)no2)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.CC(C)(C)c1cncc(-c2cc(-c3ccccc3)[nH]n2)c1
InChIInChI=1S/3C19H20N2.3C19H19NO.2C19H19NS.2C18H19N3/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)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;1-18(2,3)15-8-4-6-13(10-15)17-20-12-16(21-17)14-7-5-9-19-11-14;1-18(2,3)15-9-14(11-19-12-15)17-10-16(20-21-17)13-7-5-4-6-8-13/h3*4-13H,1-3H3,(H,20,21);5*4-13H,1-3H3;2*4-12H,1-3H3,(H,20,21)
InChIKeyBKXOQDCKOSZOGI-UHFFFAOYSA-N
XLogP51.46
TPSA273.05 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms210
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002802.86
LogP ≤ 551.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

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;5-(3-tert-butylphenyl)-3-phenyl-1,2-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-tert-butyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridine 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;5-(3-tert-butylphenyl)-3-phenyl-1,2-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-tert-butyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridine?
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;5-(3-tert-butylphenyl)-3-phenyl-1,2-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-tert-butyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridine (CID 157381358) 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;5-(3-tert-butylphenyl)-3-phenyl-1,2-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-tert-butyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridine.
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;5-(3-tert-butylphenyl)-3-phenyl-1,2-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-tert-butyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridine?
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;5-(3-tert-butylphenyl)-3-phenyl-1,2-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-tert-butyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridine is CC(C)(C)c1cccc(-c2cc(-c3ccccc3)[nH]n2)c1.CC(C)(C)c1cccc(-c2cc(-c3ccccc3)no2)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.CC(C)(C)c1cncc(-c2cc(-c3ccccc3)[nH]n2)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;5-(3-tert-butylphenyl)-3-phenyl-1,2-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-tert-butyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridine?
The InChIKey is BKXOQDCKOSZOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H20N2.3C19H19NO.2C19H19NS.2C18H19N3/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)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;1-18(2,3)15-8-4-6-13(10-15)17-20-12-16(21-17)14-7-5-9-19-11-14;1-18(2,3)15-9-14(11-19-12-15)17-10-16(20-21-17)13-7-5-4-6-8-13/h3*4-13H,1-3H3,(H,20,21);5*4-13H,1-3H3;2*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;5-(3-tert-butylphenyl)-3-phenyl-1,2-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-tert-butyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridine?
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;5-(3-tert-butylphenyl)-3-phenyl-1,2-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-tert-butyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridine has a molecular weight of 2802.86 g/mol, XLogP of 51.46, 20 rotatable bonds, 5 hydrogen bond donors, and 17 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;5-(3-tert-butylphenyl)-3-phenyl-1,2-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-tert-butyl-5-(5-phenyl-1H-pyrazol-3-yl)pyridine is sourced from PubChem (CID 157381358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).