2-(2-methyloctan-3-yl)-1-undecan-2-ylimidazole

C23H44N2 — CID 69409689

IUPAC2-(2-methyloctan-3-yl)-1-undecan-2-ylimidazole
SMILESCCCCCCCCCC(C)n1ccnc1C(CCCCC)C(C)C
InChIInChI=1S/C23H44N2/c1-6-8-10-11-12-13-15-16-21(5)25-19-18-24-23(25)22(20(3)4)17-14-9-7-2/h18-22H,6-17H2,1-5H3
InChIKeyAHVBNFBXMQIOIY-UHFFFAOYSA-N
MW348.62 g/mol
LogP7.90
Rot. Bonds15

About 2-(2-methyloctan-3-yl)-1-undecan-2-ylimidazole

2-(2-methyloctan-3-yl)-1-undecan-2-ylimidazole (PubChem CID 69409689) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 2-(2-methyloctan-3-yl)-1-undecan-2-ylimidazole.

Molecular Properties

Compound Name2-(2-methyloctan-3-yl)-1-undecan-2-ylimidazole
PubChem CID69409689
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name2-(2-methyloctan-3-yl)-1-undecan-2-ylimidazole
SMILESCCCCCCCCCC(C)n1ccnc1C(CCCCC)C(C)C
InChIInChI=1S/C23H44N2/c1-6-8-10-11-12-13-15-16-21(5)25-19-18-24-23(25)22(20(3)4)17-14-9-7-2/h18-22H,6-17H2,1-5H3
InChIKeyAHVBNFBXMQIOIY-UHFFFAOYSA-N
XLogP7.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 57.90
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-octan-2-yl-2-tridecan-2-ylimidazole
CID 69409116
1-nonadecan-2-yl-2-tridecan-2-ylimidazole
CID 69408935
2-nonacosan-15-yl-1-octan-2-ylimidazole
CID 69409721
1-octadecan-2-yl-2-pentacosan-13-ylimidazole
CID 69406789
2-nonacosan-12-yl-1-octadecan-2-ylimidazole
CID 69409675
2-docosan-10-yl-1-nonan-2-ylimidazole
CID 69405990
1-hexadecan-2-yl-2-pentacosan-10-ylimidazole
CID 69408468
1-pentadecan-2-yl-2-pentadecan-7-ylimidazole
CID 69405827
2-decan-2-yl-1-nonadecan-2-ylimidazole
CID 69408162
2-henicosan-6-yl-1-nonadecan-2-ylimidazole
CID 69406536
1-nonadecan-2-yl-2-triacontan-12-ylimidazole
CID 69403792
1-pentadecan-2-yl-2-tetratriacontan-17-ylimidazole
CID 69406632

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloctan-3-yl)-1-undecan-2-ylimidazole?
The IUPAC name of 2-(2-methyloctan-3-yl)-1-undecan-2-ylimidazole (CID 69409689) is 2-(2-methyloctan-3-yl)-1-undecan-2-ylimidazole.
What is the SMILES notation for 2-(2-methyloctan-3-yl)-1-undecan-2-ylimidazole?
The canonical SMILES for 2-(2-methyloctan-3-yl)-1-undecan-2-ylimidazole is CCCCCCCCCC(C)n1ccnc1C(CCCCC)C(C)C.
What is the InChIKey of 2-(2-methyloctan-3-yl)-1-undecan-2-ylimidazole?
The InChIKey is AHVBNFBXMQIOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2/c1-6-8-10-11-12-13-15-16-21(5)25-19-18-24-23(25)22(20(3)4)17-14-9-7-2/h18-22H,6-17H2,1-5H3.
What are the key properties of 2-(2-methyloctan-3-yl)-1-undecan-2-ylimidazole?
2-(2-methyloctan-3-yl)-1-undecan-2-ylimidazole has a molecular weight of 348.62 g/mol, XLogP of 7.90, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloctan-3-yl)-1-undecan-2-ylimidazole is sourced from PubChem (CID 69409689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).