1,3,4-tri(propan-2-yl)-2-propan-2-ylideneimidazole

C15H28N2 — CID 167015966

IUPAC1,3,4-tri(propan-2-yl)-2-propan-2-ylideneimidazole
SMILESCC(C)=C1N(C(C)C)C=C(C(C)C)N1C(C)C
InChIInChI=1S/C15H28N2/c1-10(2)14-9-16(12(5)6)15(11(3)4)17(14)13(7)8/h9-10,12-13H,1-8H3
InChIKeyOEQIFNSAPQYPBW-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.17
Rot. Bonds3

About 1,3,4-tri(propan-2-yl)-2-propan-2-ylideneimidazole

1,3,4-tri(propan-2-yl)-2-propan-2-ylideneimidazole (PubChem CID 167015966) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1,3,4-tri(propan-2-yl)-2-propan-2-ylideneimidazole.

Molecular Properties

Compound Name1,3,4-tri(propan-2-yl)-2-propan-2-ylideneimidazole
PubChem CID167015966
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1,3,4-tri(propan-2-yl)-2-propan-2-ylideneimidazole
SMILESCC(C)=C1N(C(C)C)C=C(C(C)C)N1C(C)C
InChIInChI=1S/C15H28N2/c1-10(2)14-9-16(12(5)6)15(11(3)4)17(14)13(7)8/h9-10,12-13H,1-8H3
InChIKeyOEQIFNSAPQYPBW-UHFFFAOYSA-N
XLogP4.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-tri(propan-2-yl)-2-propan-2-ylideneimidazole?
The IUPAC name of 1,3,4-tri(propan-2-yl)-2-propan-2-ylideneimidazole (CID 167015966) is 1,3,4-tri(propan-2-yl)-2-propan-2-ylideneimidazole.
What is the SMILES notation for 1,3,4-tri(propan-2-yl)-2-propan-2-ylideneimidazole?
The canonical SMILES for 1,3,4-tri(propan-2-yl)-2-propan-2-ylideneimidazole is CC(C)=C1N(C(C)C)C=C(C(C)C)N1C(C)C.
What is the InChIKey of 1,3,4-tri(propan-2-yl)-2-propan-2-ylideneimidazole?
The InChIKey is OEQIFNSAPQYPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-10(2)14-9-16(12(5)6)15(11(3)4)17(14)13(7)8/h9-10,12-13H,1-8H3.
What are the key properties of 1,3,4-tri(propan-2-yl)-2-propan-2-ylideneimidazole?
1,3,4-tri(propan-2-yl)-2-propan-2-ylideneimidazole has a molecular weight of 236.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-tri(propan-2-yl)-2-propan-2-ylideneimidazole is sourced from PubChem (CID 167015966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).