1,4-bis(3-methylbutyl)imidazole;1,4-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)triazole

C85H157N15O — CID 162281154

IUPAC1,4-bis(3-methylbutyl)imidazole;1,4-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)triazole
SMILESCC(C)CCC=CCCC(C)C.CC(C)CCc1cn(CCC(C)C)cn1.CC(C)CCc1cn(CCC(C)C)nn1.CC(C)CCc1cnn(CCC(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnn(C(C)C)c1
InChIInChI=1S/2C13H24N2.C12H23N3.C12H24.2C9H16N2.C9H15NO.C8H15N3/c1-11(2)5-6-13-9-15(10-14-13)8-7-12(3)4;1-11(2)5-6-13-9-14-15(10-13)8-7-12(3)4;1-10(2)5-6-12-9-15(14-13-12)8-7-11(3)4;1-11(2)9-7-5-6-8-10-12(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8/h2*9-12H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;5-6,11-12H,7-10H2,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3
InChIKeyKJRAPHQPNHQJSU-UHFFFAOYSA-N
MW1405.29 g/mol
LogP24.44
Rot. Bonds32

About 1,4-bis(3-methylbutyl)imidazole;1,4-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)triazole

1,4-bis(3-methylbutyl)imidazole;1,4-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)triazole (PubChem CID 162281154) has the molecular formula C85H157N15O and a molecular weight of 1405.29 g/mol. Its IUPAC name is 1,4-bis(3-methylbutyl)imidazole;1,4-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)triazole.

Molecular Properties

Compound Name1,4-bis(3-methylbutyl)imidazole;1,4-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)triazole
PubChem CID162281154
Molecular FormulaC85H157N15O
Molecular Weight1405.29 g/mol
Exact Mass1404.27
IUPAC Name1,4-bis(3-methylbutyl)imidazole;1,4-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)triazole
SMILESCC(C)CCC=CCCC(C)C.CC(C)CCc1cn(CCC(C)C)cn1.CC(C)CCc1cn(CCC(C)C)nn1.CC(C)CCc1cnn(CCC(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnn(C(C)C)c1
InChIInChI=1S/2C13H24N2.C12H23N3.C12H24.2C9H16N2.C9H15NO.C8H15N3/c1-11(2)5-6-13-9-15(10-14-13)8-7-12(3)4;1-11(2)5-6-13-9-14-15(10-13)8-7-12(3)4;1-10(2)5-6-12-9-15(14-13-12)8-7-11(3)4;1-11(2)9-7-5-6-8-10-12(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8/h2*9-12H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;5-6,11-12H,7-10H2,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3
InChIKeyKJRAPHQPNHQJSU-UHFFFAOYSA-N
XLogP24.44
TPSA158.73 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001405.29
LogP ≤ 524.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,4-bis(3-methylbutyl)imidazole;1,4-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3-methylbutyl)imidazole;1,4-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)triazole?
The IUPAC name of 1,4-bis(3-methylbutyl)imidazole;1,4-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)triazole (CID 162281154) is 1,4-bis(3-methylbutyl)imidazole;1,4-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)triazole.
What is the SMILES notation for 1,4-bis(3-methylbutyl)imidazole;1,4-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)triazole?
The canonical SMILES for 1,4-bis(3-methylbutyl)imidazole;1,4-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)triazole is CC(C)CCC=CCCC(C)C.CC(C)CCc1cn(CCC(C)C)cn1.CC(C)CCc1cn(CCC(C)C)nn1.CC(C)CCc1cnn(CCC(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnn(C(C)C)c1.
What is the InChIKey of 1,4-bis(3-methylbutyl)imidazole;1,4-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)triazole?
The InChIKey is KJRAPHQPNHQJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H24N2.C12H23N3.C12H24.2C9H16N2.C9H15NO.C8H15N3/c1-11(2)5-6-13-9-15(10-14-13)8-7-12(3)4;1-11(2)5-6-13-9-14-15(10-13)8-7-12(3)4;1-10(2)5-6-12-9-15(14-13-12)8-7-11(3)4;1-11(2)9-7-5-6-8-10-12(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8/h2*9-12H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;5-6,11-12H,7-10H2,1-4H3;2*5-8H,1-4H3;2*5-7H,1-4H3.
What are the key properties of 1,4-bis(3-methylbutyl)imidazole;1,4-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)triazole?
1,4-bis(3-methylbutyl)imidazole;1,4-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)triazole has a molecular weight of 1405.29 g/mol, XLogP of 24.44, 32 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3-methylbutyl)imidazole;1,4-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)triazole is sourced from PubChem (CID 162281154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).