1-methyl-4-propylimidazole

C7H12N2 — CID 20703275

IUPAC1-methyl-4-propylimidazole
SMILESCCCc1cn(C)cn1
InChIInChI=1S/C7H12N2/c1-3-4-7-5-9(2)6-8-7/h5-6H,3-4H2,1-2H3
InChIKeyXPVNZDGUANMYBJ-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.37
Rot. Bonds2

About 1-methyl-4-propylimidazole

1-methyl-4-propylimidazole (PubChem CID 20703275) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-methyl-4-propylimidazole.

Molecular Properties

Compound Name1-methyl-4-propylimidazole
PubChem CID20703275
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-methyl-4-propylimidazole
SMILESCCCc1cn(C)cn1
InChIInChI=1S/C7H12N2/c1-3-4-7-5-9(2)6-8-7/h5-6H,3-4H2,1-2H3
InChIKeyXPVNZDGUANMYBJ-UHFFFAOYSA-N
XLogP1.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propylimidazole?
The IUPAC name of 1-methyl-4-propylimidazole (CID 20703275) is 1-methyl-4-propylimidazole.
What is the SMILES notation for 1-methyl-4-propylimidazole?
The canonical SMILES for 1-methyl-4-propylimidazole is CCCc1cn(C)cn1.
What is the InChIKey of 1-methyl-4-propylimidazole?
The InChIKey is XPVNZDGUANMYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-4-7-5-9(2)6-8-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-methyl-4-propylimidazole?
1-methyl-4-propylimidazole has a molecular weight of 124.19 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propylimidazole is sourced from PubChem (CID 20703275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).