2,4-dimethyl-1-pentylimidazole

C10H18N2 — CID 134592157

IUPAC2,4-dimethyl-1-pentylimidazole
SMILESCCCCCn1cc(C)nc1C
InChIInChI=1S/C10H18N2/c1-4-5-6-7-12-8-9(2)11-10(12)3/h8H,4-7H2,1-3H3
InChIKeyPOOATNAWEUDXCJ-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.69
Rot. Bonds4

About 2,4-dimethyl-1-pentylimidazole

2,4-dimethyl-1-pentylimidazole (PubChem CID 134592157) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2,4-dimethyl-1-pentylimidazole.

Molecular Properties

Compound Name2,4-dimethyl-1-pentylimidazole
PubChem CID134592157
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2,4-dimethyl-1-pentylimidazole
SMILESCCCCCn1cc(C)nc1C
InChIInChI=1S/C10H18N2/c1-4-5-6-7-12-8-9(2)11-10(12)3/h8H,4-7H2,1-3H3
InChIKeyPOOATNAWEUDXCJ-UHFFFAOYSA-N
XLogP2.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.69
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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Related Compounds

1-butyl-2,4-dimethylimidazole
CID 69009415
1-(3-bromopropyl)-2,4-dimethylimidazole
CID 174851128
4-chloro-1-hexyl-2-methylimidazole
CID 56634054
1,4-didecyl-2-methylimidazole;hydrobromide
CID 173322060
1-hexyl-N,4-dimethylimidazol-2-amine
CID 106573791
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
CID 106568860
4-benzyl-1-dodecyl-2-methylimidazole
CID 174200825
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
1-butyl-2-methyl-4-nitroimidazole
CID 2801466
1-heptadecyl-2-methyl-4-(3-phenylpropyl)imidazole
CID 69405660
1-(2,4-dimethylimidazol-1-yl)-N,N-dimethylmethanamine
CID 86259383

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-pentylimidazole?
The IUPAC name of 2,4-dimethyl-1-pentylimidazole (CID 134592157) is 2,4-dimethyl-1-pentylimidazole.
What is the SMILES notation for 2,4-dimethyl-1-pentylimidazole?
The canonical SMILES for 2,4-dimethyl-1-pentylimidazole is CCCCCn1cc(C)nc1C.
What is the InChIKey of 2,4-dimethyl-1-pentylimidazole?
The InChIKey is POOATNAWEUDXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-5-6-7-12-8-9(2)11-10(12)3/h8H,4-7H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-pentylimidazole?
2,4-dimethyl-1-pentylimidazole has a molecular weight of 166.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-pentylimidazole is sourced from PubChem (CID 134592157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).