4-[5-(2,6-dimethylphenyl)pent-1-enyl]-1-ethylimidazole

C18H24N2 — CID 54021761

IUPAC4-[5-(2,6-dimethylphenyl)pent-1-enyl]-1-ethylimidazole
SMILESCCn1cnc(C=CCCCc2c(C)cccc2C)c1
InChIInChI=1S/C18H24N2/c1-4-20-13-17(19-14-20)11-6-5-7-12-18-15(2)9-8-10-16(18)3/h6,8-11,13-14H,4-5,7,12H2,1-3H3
InChIKeyKZKIUGNVEAQGGP-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.56
Rot. Bonds6

About 4-[5-(2,6-dimethylphenyl)pent-1-enyl]-1-ethylimidazole

4-[5-(2,6-dimethylphenyl)pent-1-enyl]-1-ethylimidazole (PubChem CID 54021761) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[5-(2,6-dimethylphenyl)pent-1-enyl]-1-ethylimidazole.

Molecular Properties

Compound Name4-[5-(2,6-dimethylphenyl)pent-1-enyl]-1-ethylimidazole
PubChem CID54021761
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-[5-(2,6-dimethylphenyl)pent-1-enyl]-1-ethylimidazole
SMILESCCn1cnc(C=CCCCc2c(C)cccc2C)c1
InChIInChI=1S/C18H24N2/c1-4-20-13-17(19-14-20)11-6-5-7-12-18-15(2)9-8-10-16(18)3/h6,8-11,13-14H,4-5,7,12H2,1-3H3
InChIKeyKZKIUGNVEAQGGP-UHFFFAOYSA-N
XLogP4.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.56
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-[5-(2,6-dimethylphenyl)pent-1-enyl]-1-ethylimidazole?
The IUPAC name of 4-[5-(2,6-dimethylphenyl)pent-1-enyl]-1-ethylimidazole (CID 54021761) is 4-[5-(2,6-dimethylphenyl)pent-1-enyl]-1-ethylimidazole.
What is the SMILES notation for 4-[5-(2,6-dimethylphenyl)pent-1-enyl]-1-ethylimidazole?
The canonical SMILES for 4-[5-(2,6-dimethylphenyl)pent-1-enyl]-1-ethylimidazole is CCn1cnc(C=CCCCc2c(C)cccc2C)c1.
What is the InChIKey of 4-[5-(2,6-dimethylphenyl)pent-1-enyl]-1-ethylimidazole?
The InChIKey is KZKIUGNVEAQGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-20-13-17(19-14-20)11-6-5-7-12-18-15(2)9-8-10-16(18)3/h6,8-11,13-14H,4-5,7,12H2,1-3H3.
What are the key properties of 4-[5-(2,6-dimethylphenyl)pent-1-enyl]-1-ethylimidazole?
4-[5-(2,6-dimethylphenyl)pent-1-enyl]-1-ethylimidazole has a molecular weight of 268.40 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,6-dimethylphenyl)pent-1-enyl]-1-ethylimidazole is sourced from PubChem (CID 54021761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).