1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-1,2-thiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-ylimidazole

C76H116N16O3S — CID 158422685

About 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-1,2-thiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-ylimidazole

1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-1,2-thiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-ylimidazole (PubChem CID 158422685) has the molecular formula C76H116N16O3S and a molecular weight of 1333.94 g/mol. Its IUPAC name is 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-1,2-thiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-ylimidazole.

Molecular Properties

• Compound Name: 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-1,2-thiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-ylimidazole
• PubChem CID: 158422685
• Molecular Formula: C76H116N16O3S
• Molecular Weight: 1333.94 g/mol
• Exact Mass: 1332.91
• IUPAC Name: 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-1,2-thiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-ylimidazole
• SMILES: CC(C)c1cncn1C1CC1.CC(C)c1nncn1C1CC1.CC(C)c1nocc1C1CC1.CC(C)c1nocc1C1CC1.CC(C)c1nscc1C1CC1.CC(C)c1oncc1C1CC1.CC(C)n1ccnc1.CC(C)n1cncc1C1CC1.CC(C)n1nncc1C1CC1
• InChI: InChI=1S/2C9H14N2.3C9H13NO.C9H13NS.2C8H13N3.C6H10N2/c1-7(2)11-6-10-5-9(11)8-3-4-8;1-7(2)9-5-10-6-11(9)8-3-4-8;2*1-6(2)9-8(5-11-10-9)7-3-4-7;1-6(2)9-8(5-10-11-9)7-3-4-7;1-6(2)9-8(5-11-10-9)7-3-4-7;1-6(2)8-10-9-5-11(8)7-3-4-7;1-6(2)11-8(5-9-10-11)7-3-4-7;1-6(2)8-4-3-7-5-8/h2*5-8H,3-4H2,1-2H3;6*5-7H,3-4H2,1-2H3;3-6H,1-2H3
• InChIKey: HARGDMFNNHZKDB-UHFFFAOYSA-N
• XLogP: 20.79
• TPSA: 205.86 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1333.94
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-1,2-thiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-ylimidazole?

The IUPAC name of 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-1,2-thiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-ylimidazole (CID 158422685) is 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-1,2-thiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-ylimidazole.

What is the SMILES notation for 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-1,2-thiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-ylimidazole?

The canonical SMILES for 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-1,2-thiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-ylimidazole is CC(C)c1cncn1C1CC1.CC(C)c1nncn1C1CC1.CC(C)c1nocc1C1CC1.CC(C)c1nocc1C1CC1.CC(C)c1nscc1C1CC1.CC(C)c1oncc1C1CC1.CC(C)n1ccnc1.CC(C)n1cncc1C1CC1.CC(C)n1nncc1C1CC1.

What is the InChIKey of 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-1,2-thiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-ylimidazole?

The InChIKey is HARGDMFNNHZKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14N2.3C9H13NO.C9H13NS.2C8H13N3.C6H10N2/c1-7(2)11-6-10-5-9(11)8-3-4-8;1-7(2)9-5-10-6-11(9)8-3-4-8;2*1-6(2)9-8(5-11-10-9)7-3-4-7;1-6(2)9-8(5-10-11-9)7-3-4-7;1-6(2)9-8(5-11-10-9)7-3-4-7;1-6(2)8-10-9-5-11(8)7-3-4-7;1-6(2)11-8(5-9-10-11)7-3-4-7;1-6(2)8-4-3-7-5-8/h2*5-8H,3-4H2,1-2H3;6*5-7H,3-4H2,1-2H3;3-6H,1-2H3.

What are the key properties of 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-1,2-thiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-ylimidazole?

1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-1,2-thiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-ylimidazole has a molecular weight of 1333.94 g/mol, XLogP of 20.79, 17 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-5-propan-2-ylimidazole;5-cyclopropyl-1-propan-2-ylimidazole;bis(4-cyclopropyl-3-propan-2-yl-1,2-oxazole);4-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-3-propan-2-yl-1,2-thiazole;4-cyclopropyl-3-propan-2-yl-1,2,4-triazole;5-cyclopropyl-1-propan-2-yltriazole;1-propan-2-ylimidazole is sourced from PubChem (CID 158422685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).