5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;5-(4-chlorophenyl)-2-propan-2-yl-1,3-oxazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;5-(5-chlorothiophen-2-yl)-2-propan-2-yl-1H-imidazole;5-(5-chlorothiophen-2-yl)-3-propan-2-yl-1,2-oxazole;5-phenyl-2-propan-2-yl-1H-imidazole;5-phenyl-2-propan-2-yl-1,3-oxazole;5-phenyl-3-propan-2-yl-1,2-oxazole;3-(2-propan-2-yl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-propan-2-yl-1,2-oxazol-5-yl)benzenecarboximidamide

C118H129Cl5N18O6S2 — CID 161256538

About 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;5-(4-chlorophenyl)-2-propan-2-yl-1,3-oxazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;5-(5-chlorothiophen-2-yl)-2-propan-2-yl-1H-imidazole;5-(5-chlorothiophen-2-yl)-3-propan-2-yl-1,2-oxazole;5-phenyl-2-propan-2-yl-1H-imidazole;5-phenyl-2-propan-2-yl-1,3-oxazole;5-phenyl-3-propan-2-yl-1,2-oxazole;3-(2-propan-2-yl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-propan-2-yl-1,2-oxazol-5-yl)benzenecarboximidamide

5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;5-(4-chlorophenyl)-2-propan-2-yl-1,3-oxazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;5-(5-chlorothiophen-2-yl)-2-propan-2-yl-1H-imidazole;5-(5-chlorothiophen-2-yl)-3-propan-2-yl-1,2-oxazole;5-phenyl-2-propan-2-yl-1H-imidazole;5-phenyl-2-propan-2-yl-1,3-oxazole;5-phenyl-3-propan-2-yl-1,2-oxazole;3-(2-propan-2-yl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-propan-2-yl-1,2-oxazol-5-yl)benzenecarboximidamide (PubChem CID 161256538) has the molecular formula C118H129Cl5N18O6S2 and a molecular weight of 2136.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;5-(4-chlorophenyl)-2-propan-2-yl-1,3-oxazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;5-(5-chlorothiophen-2-yl)-2-propan-2-yl-1H-imidazole;5-(5-chlorothiophen-2-yl)-3-propan-2-yl-1,2-oxazole;5-phenyl-2-propan-2-yl-1H-imidazole;5-phenyl-2-propan-2-yl-1,3-oxazole;5-phenyl-3-propan-2-yl-1,2-oxazole;3-(2-propan-2-yl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-propan-2-yl-1,2-oxazol-5-yl)benzenecarboximidamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;5-(4-chlorophenyl)-2-propan-2-yl-1,3-oxazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;5-(5-chlorothiophen-2-yl)-2-propan-2-yl-1H-imidazole;5-(5-chlorothiophen-2-yl)-3-propan-2-yl-1,2-oxazole;5-phenyl-2-propan-2-yl-1H-imidazole;5-phenyl-2-propan-2-yl-1,3-oxazole;5-phenyl-3-propan-2-yl-1,2-oxazole;3-(2-propan-2-yl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-propan-2-yl-1,2-oxazol-5-yl)benzenecarboximidamide
• PubChem CID: 161256538
• Molecular Formula: C118H129Cl5N18O6S2
• Molecular Weight: 2136.85 g/mol
• Exact Mass: 2132.82
• IUPAC Name: 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;5-(4-chlorophenyl)-2-propan-2-yl-1,3-oxazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;5-(5-chlorothiophen-2-yl)-2-propan-2-yl-1H-imidazole;5-(5-chlorothiophen-2-yl)-3-propan-2-yl-1,2-oxazole;5-phenyl-2-propan-2-yl-1H-imidazole;5-phenyl-2-propan-2-yl-1,3-oxazole;5-phenyl-3-propan-2-yl-1,2-oxazole;3-(2-propan-2-yl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-propan-2-yl-1,2-oxazol-5-yl)benzenecarboximidamide
• SMILES: CC(C)c1cc(-c2ccc(Cl)cc2)on1.CC(C)c1cc(-c2ccc(Cl)s2)on1.CC(C)c1cc(-c2ccccc2)on1.CC(C)c1ncc(-c2ccc(Cl)cc2)[nH]1.CC(C)c1ncc(-c2ccc(Cl)cc2)o1.CC(C)c1ncc(-c2ccc(Cl)s2)[nH]1.CC(C)c1ncc(-c2ccccc2)[nH]1.CC(C)c1ncc(-c2ccccc2)o1.[H]/N=C(\N)c1cccc(-c2cc(C(C)C)no2)c1.[H]/N=C(\N)c1cccc(-c2cnc(C(C)C)[nH]2)c1
• InChI: InChI=1S/C13H16N4.C13H15N3O.C12H13ClN2.2C12H12ClNO.C12H14N2.2C12H13NO.C10H11ClN2S.C10H10ClNOS/c1-8(2)13-16-7-11(17-13)9-4-3-5-10(6-9)12(14)15;1-8(2)11-7-12(17-16-11)9-4-3-5-10(6-9)13(14)15;2*1-8(2)12-14-7-11(15-12)9-3-5-10(13)6-4-9;1-8(2)11-7-12(15-14-11)9-3-5-10(13)6-4-9;2*1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;1-9(2)11-8-12(14-13-11)10-6-4-3-5-7-10;1-6(2)10-12-5-7(13-10)8-3-4-9(11)14-8;1-6(2)7-5-8(13-12-7)9-3-4-10(11)14-9/h3-8H,1-2H3,(H3,14,15)(H,16,17);3-8H,1-2H3,(H3,14,15);3-8H,1-2H3,(H,14,15);2*3-8H,1-2H3;3-9H,1-2H3,(H,13,14);2*3-9H,1-2H3;3-6H,1-2H3,(H,12,13);3-6H,1-2H3
• InChIKey: VBZMZONNNBQMPE-UHFFFAOYSA-N
• XLogP: 35.55
• TPSA: 370.64 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2136.85
LogP ≤ 5	35.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;5-(4-chlorophenyl)-2-propan-2-yl-1,3-oxazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;5-(5-chlorothiophen-2-yl)-2-propan-2-yl-1H-imidazole;5-(5-chlorothiophen-2-yl)-3-propan-2-yl-1,2-oxazole;5-phenyl-2-propan-2-yl-1H-imidazole;5-phenyl-2-propan-2-yl-1,3-oxazole;5-phenyl-3-propan-2-yl-1,2-oxazole;3-(2-propan-2-yl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-propan-2-yl-1,2-oxazol-5-yl)benzenecarboximidamide?

The IUPAC name of 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;5-(4-chlorophenyl)-2-propan-2-yl-1,3-oxazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;5-(5-chlorothiophen-2-yl)-2-propan-2-yl-1H-imidazole;5-(5-chlorothiophen-2-yl)-3-propan-2-yl-1,2-oxazole;5-phenyl-2-propan-2-yl-1H-imidazole;5-phenyl-2-propan-2-yl-1,3-oxazole;5-phenyl-3-propan-2-yl-1,2-oxazole;3-(2-propan-2-yl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-propan-2-yl-1,2-oxazol-5-yl)benzenecarboximidamide (CID 161256538) is 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;5-(4-chlorophenyl)-2-propan-2-yl-1,3-oxazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;5-(5-chlorothiophen-2-yl)-2-propan-2-yl-1H-imidazole;5-(5-chlorothiophen-2-yl)-3-propan-2-yl-1,2-oxazole;5-phenyl-2-propan-2-yl-1H-imidazole;5-phenyl-2-propan-2-yl-1,3-oxazole;5-phenyl-3-propan-2-yl-1,2-oxazole;3-(2-propan-2-yl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-propan-2-yl-1,2-oxazol-5-yl)benzenecarboximidamide.

What is the SMILES notation for 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;5-(4-chlorophenyl)-2-propan-2-yl-1,3-oxazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;5-(5-chlorothiophen-2-yl)-2-propan-2-yl-1H-imidazole;5-(5-chlorothiophen-2-yl)-3-propan-2-yl-1,2-oxazole;5-phenyl-2-propan-2-yl-1H-imidazole;5-phenyl-2-propan-2-yl-1,3-oxazole;5-phenyl-3-propan-2-yl-1,2-oxazole;3-(2-propan-2-yl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-propan-2-yl-1,2-oxazol-5-yl)benzenecarboximidamide?

The canonical SMILES for 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;5-(4-chlorophenyl)-2-propan-2-yl-1,3-oxazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;5-(5-chlorothiophen-2-yl)-2-propan-2-yl-1H-imidazole;5-(5-chlorothiophen-2-yl)-3-propan-2-yl-1,2-oxazole;5-phenyl-2-propan-2-yl-1H-imidazole;5-phenyl-2-propan-2-yl-1,3-oxazole;5-phenyl-3-propan-2-yl-1,2-oxazole;3-(2-propan-2-yl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-propan-2-yl-1,2-oxazol-5-yl)benzenecarboximidamide is CC(C)c1cc(-c2ccc(Cl)cc2)on1.CC(C)c1cc(-c2ccc(Cl)s2)on1.CC(C)c1cc(-c2ccccc2)on1.CC(C)c1ncc(-c2ccc(Cl)cc2)[nH]1.CC(C)c1ncc(-c2ccc(Cl)cc2)o1.CC(C)c1ncc(-c2ccc(Cl)s2)[nH]1.CC(C)c1ncc(-c2ccccc2)[nH]1.CC(C)c1ncc(-c2ccccc2)o1.[H]/N=C(\N)c1cccc(-c2cc(C(C)C)no2)c1.[H]/N=C(\N)c1cccc(-c2cnc(C(C)C)[nH]2)c1.

What is the InChIKey of 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;5-(4-chlorophenyl)-2-propan-2-yl-1,3-oxazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;5-(5-chlorothiophen-2-yl)-2-propan-2-yl-1H-imidazole;5-(5-chlorothiophen-2-yl)-3-propan-2-yl-1,2-oxazole;5-phenyl-2-propan-2-yl-1H-imidazole;5-phenyl-2-propan-2-yl-1,3-oxazole;5-phenyl-3-propan-2-yl-1,2-oxazole;3-(2-propan-2-yl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-propan-2-yl-1,2-oxazol-5-yl)benzenecarboximidamide?

The InChIKey is VBZMZONNNBQMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4.C13H15N3O.C12H13ClN2.2C12H12ClNO.C12H14N2.2C12H13NO.C10H11ClN2S.C10H10ClNOS/c1-8(2)13-16-7-11(17-13)9-4-3-5-10(6-9)12(14)15;1-8(2)11-7-12(17-16-11)9-4-3-5-10(6-9)13(14)15;2*1-8(2)12-14-7-11(15-12)9-3-5-10(13)6-4-9;1-8(2)11-7-12(15-14-11)9-3-5-10(13)6-4-9;2*1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;1-9(2)11-8-12(14-13-11)10-6-4-3-5-7-10;1-6(2)10-12-5-7(13-10)8-3-4-9(11)14-8;1-6(2)7-5-8(13-12-7)9-3-4-10(11)14-9/h3-8H,1-2H3,(H3,14,15)(H,16,17);3-8H,1-2H3,(H3,14,15);3-8H,1-2H3,(H,14,15);2*3-8H,1-2H3;3-9H,1-2H3,(H,13,14);2*3-9H,1-2H3;3-6H,1-2H3,(H,12,13);3-6H,1-2H3.

What are the key properties of 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;5-(4-chlorophenyl)-2-propan-2-yl-1,3-oxazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;5-(5-chlorothiophen-2-yl)-2-propan-2-yl-1H-imidazole;5-(5-chlorothiophen-2-yl)-3-propan-2-yl-1,2-oxazole;5-phenyl-2-propan-2-yl-1H-imidazole;5-phenyl-2-propan-2-yl-1,3-oxazole;5-phenyl-3-propan-2-yl-1,2-oxazole;3-(2-propan-2-yl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-propan-2-yl-1,2-oxazol-5-yl)benzenecarboximidamide?

5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;5-(4-chlorophenyl)-2-propan-2-yl-1,3-oxazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;5-(5-chlorothiophen-2-yl)-2-propan-2-yl-1H-imidazole;5-(5-chlorothiophen-2-yl)-3-propan-2-yl-1,2-oxazole;5-phenyl-2-propan-2-yl-1H-imidazole;5-phenyl-2-propan-2-yl-1,3-oxazole;5-phenyl-3-propan-2-yl-1,2-oxazole;3-(2-propan-2-yl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-propan-2-yl-1,2-oxazol-5-yl)benzenecarboximidamide has a molecular weight of 2136.85 g/mol, XLogP of 35.55, 22 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-2-propan-2-yl-1H-imidazole;5-(4-chlorophenyl)-2-propan-2-yl-1,3-oxazole;5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazole;5-(5-chlorothiophen-2-yl)-2-propan-2-yl-1H-imidazole;5-(5-chlorothiophen-2-yl)-3-propan-2-yl-1,2-oxazole;5-phenyl-2-propan-2-yl-1H-imidazole;5-phenyl-2-propan-2-yl-1,3-oxazole;5-phenyl-3-propan-2-yl-1,2-oxazole;3-(2-propan-2-yl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-propan-2-yl-1,2-oxazol-5-yl)benzenecarboximidamide is sourced from PubChem (CID 161256538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).