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

C88H138N24O3 — CID 159449120

IUPAC1-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;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-ylimidazole;1-propan-2-yltriazole
SMILESCC(C)c1cncn1C1CC1.CC(C)c1nncn1C1CC1.CC(C)c1nncn1C1CC1.CC(C)c1nocc1C1CC1.CC(C)c1nocc1C1CC1.CC(C)c1oncc1C1CC1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cncc1C1CC1.CC(C)n1nncc1C1CC1.CC(C)n1nncc1C1CC1
InChIInChI=1S/2C9H14N2.3C9H13NO.4C8H13N3.C6H10N2.C5H9N3/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;2*1-6(2)8-10-9-5-11(8)7-3-4-7;2*1-6(2)11-8(5-9-10-11)7-3-4-7;1-6(2)8-4-3-7-5-8;1-5(2)8-4-3-6-7-8/h2*5-8H,3-4H2,1-2H3;7*5-7H,3-4H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyLTDGAMQSZYZPQV-UHFFFAOYSA-N
MW1580.24 g/mol
LogP21.98
Rot. Bonds20

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

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;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-ylimidazole;1-propan-2-yltriazole (PubChem CID 159449120) has the molecular formula C88H138N24O3 and a molecular weight of 1580.24 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;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-ylimidazole;1-propan-2-yltriazole.

Molecular Properties

Compound Name1-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;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-ylimidazole;1-propan-2-yltriazole
PubChem CID159449120
Molecular FormulaC88H138N24O3
Molecular Weight1580.24 g/mol
Exact Mass1579.14
IUPAC Name1-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;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-ylimidazole;1-propan-2-yltriazole
SMILESCC(C)c1cncn1C1CC1.CC(C)c1nncn1C1CC1.CC(C)c1nncn1C1CC1.CC(C)c1nocc1C1CC1.CC(C)c1nocc1C1CC1.CC(C)c1oncc1C1CC1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cncc1C1CC1.CC(C)n1nncc1C1CC1.CC(C)n1nncc1C1CC1
InChIInChI=1S/2C9H14N2.3C9H13NO.4C8H13N3.C6H10N2.C5H9N3/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;2*1-6(2)8-10-9-5-11(8)7-3-4-7;2*1-6(2)11-8(5-9-10-11)7-3-4-7;1-6(2)8-4-3-7-5-8;1-5(2)8-4-3-6-7-8/h2*5-8H,3-4H2,1-2H3;7*5-7H,3-4H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyLTDGAMQSZYZPQV-UHFFFAOYSA-N
XLogP21.98
TPSA285.10 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001580.24
LogP ≤ 521.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 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;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-ylimidazole;1-propan-2-yltriazole with MolForge

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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;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-ylimidazole;1-propan-2-yltriazole?
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;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-ylimidazole;1-propan-2-yltriazole (CID 159449120) 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;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-ylimidazole;1-propan-2-yltriazole.
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;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-ylimidazole;1-propan-2-yltriazole?
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;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-ylimidazole;1-propan-2-yltriazole is CC(C)c1cncn1C1CC1.CC(C)c1nncn1C1CC1.CC(C)c1nncn1C1CC1.CC(C)c1nocc1C1CC1.CC(C)c1nocc1C1CC1.CC(C)c1oncc1C1CC1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cncc1C1CC1.CC(C)n1nncc1C1CC1.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;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-ylimidazole;1-propan-2-yltriazole?
The InChIKey is LTDGAMQSZYZPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14N2.3C9H13NO.4C8H13N3.C6H10N2.C5H9N3/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;2*1-6(2)8-10-9-5-11(8)7-3-4-7;2*1-6(2)11-8(5-9-10-11)7-3-4-7;1-6(2)8-4-3-7-5-8;1-5(2)8-4-3-6-7-8/h2*5-8H,3-4H2,1-2H3;7*5-7H,3-4H2,1-2H3;3-6H,1-2H3;3-5H,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;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-ylimidazole;1-propan-2-yltriazole?
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;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-ylimidazole;1-propan-2-yltriazole has a molecular weight of 1580.24 g/mol, XLogP of 21.98, 20 rotatable bonds, 0 hydrogen bond donors, and 27 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;bis(4-cyclopropyl-3-propan-2-yl-1,2,4-triazole);bis(5-cyclopropyl-1-propan-2-yltriazole);1-propan-2-ylimidazole;1-propan-2-yltriazole is sourced from PubChem (CID 159449120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).