2-methyl-4-propan-2-yl-1-propylimidazole

C10H18N2 — CID 58592748

IUPAC2-methyl-4-propan-2-yl-1-propylimidazole
SMILESCCCn1cc(C(C)C)nc1C
InChIInChI=1S/C10H18N2/c1-5-6-12-7-10(8(2)3)11-9(12)4/h7-8H,5-6H2,1-4H3
InChIKeyVGPQBSQZUXUTQU-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.72
Rot. Bonds3

About 2-methyl-4-propan-2-yl-1-propylimidazole

2-methyl-4-propan-2-yl-1-propylimidazole (PubChem CID 58592748) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-1-propylimidazole.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-1-propylimidazole
PubChem CID58592748
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-methyl-4-propan-2-yl-1-propylimidazole
SMILESCCCn1cc(C(C)C)nc1C
InChIInChI=1S/C10H18N2/c1-5-6-12-7-10(8(2)3)11-9(12)4/h7-8H,5-6H2,1-4H3
InChIKeyVGPQBSQZUXUTQU-UHFFFAOYSA-N
XLogP2.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-1-propylimidazole?
The IUPAC name of 2-methyl-4-propan-2-yl-1-propylimidazole (CID 58592748) is 2-methyl-4-propan-2-yl-1-propylimidazole.
What is the SMILES notation for 2-methyl-4-propan-2-yl-1-propylimidazole?
The canonical SMILES for 2-methyl-4-propan-2-yl-1-propylimidazole is CCCn1cc(C(C)C)nc1C.
What is the InChIKey of 2-methyl-4-propan-2-yl-1-propylimidazole?
The InChIKey is VGPQBSQZUXUTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-6-12-7-10(8(2)3)11-9(12)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-4-propan-2-yl-1-propylimidazole?
2-methyl-4-propan-2-yl-1-propylimidazole has a molecular weight of 166.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-1-propylimidazole is sourced from PubChem (CID 58592748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).