4-methyl-1-pentylimidazole

C9H16N2 — CID 529337

IUPAC4-methyl-1-pentylimidazole
SMILESCCCCCn1cnc(C)c1
InChIInChI=1S/C9H16N2/c1-3-4-5-6-11-7-9(2)10-8-11/h7-8H,3-6H2,1-2H3
InChIKeyXKFFEMCWONYMOP-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.38
Rot. Bonds4

About 4-methyl-1-pentylimidazole

4-methyl-1-pentylimidazole (PubChem CID 529337) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-methyl-1-pentylimidazole.

Molecular Properties

Compound Name4-methyl-1-pentylimidazole
PubChem CID529337
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-methyl-1-pentylimidazole
SMILESCCCCCn1cnc(C)c1
InChIInChI=1S/C9H16N2/c1-3-4-5-6-11-7-9(2)10-8-11/h7-8H,3-6H2,1-2H3
InChIKeyXKFFEMCWONYMOP-UHFFFAOYSA-N
XLogP2.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pentylimidazole?
The IUPAC name of 4-methyl-1-pentylimidazole (CID 529337) is 4-methyl-1-pentylimidazole.
What is the SMILES notation for 4-methyl-1-pentylimidazole?
The canonical SMILES for 4-methyl-1-pentylimidazole is CCCCCn1cnc(C)c1.
What is the InChIKey of 4-methyl-1-pentylimidazole?
The InChIKey is XKFFEMCWONYMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-4-5-6-11-7-9(2)10-8-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-methyl-1-pentylimidazole?
4-methyl-1-pentylimidazole has a molecular weight of 152.24 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pentylimidazole is sourced from PubChem (CID 529337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).