1,3-didecyl-2-heptyl-2H-imidazole

C30H60N2 — CID 69393808

IUPAC1,3-didecyl-2-heptyl-2H-imidazole
SMILESCCCCCCCCCCN1C=CN(CCCCCCCCCC)C1CCCCCCC
InChIInChI=1S/C30H60N2/c1-4-7-10-13-15-17-20-23-26-31-28-29-32(30(31)25-22-19-12-9-6-3)27-24-21-18-16-14-11-8-5-2/h28-30H,4-27H2,1-3H3
InChIKeyMWNFNXYVMJMMFH-UHFFFAOYSA-N
MW448.82 g/mol
LogP10.04
Rot. Bonds24

About 1,3-didecyl-2-heptyl-2H-imidazole

1,3-didecyl-2-heptyl-2H-imidazole (PubChem CID 69393808) has the molecular formula C30H60N2 and a molecular weight of 448.82 g/mol. Its IUPAC name is 1,3-didecyl-2-heptyl-2H-imidazole.

Molecular Properties

Compound Name1,3-didecyl-2-heptyl-2H-imidazole
PubChem CID69393808
Molecular FormulaC30H60N2
Molecular Weight448.82 g/mol
Exact Mass448.48
IUPAC Name1,3-didecyl-2-heptyl-2H-imidazole
SMILESCCCCCCCCCCN1C=CN(CCCCCCCCCC)C1CCCCCCC
InChIInChI=1S/C30H60N2/c1-4-7-10-13-15-17-20-23-26-31-28-29-32(30(31)25-22-19-12-9-6-3)27-24-21-18-16-14-11-8-5-2/h28-30H,4-27H2,1-3H3
InChIKeyMWNFNXYVMJMMFH-UHFFFAOYSA-N
XLogP10.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.82
LogP ≤ 510.04
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-nonadecyl-2,3-di(tridecyl)-2H-imidazole
CID 69396059
2-heptadecyl-1-heptyl-3-tridecyl-2H-imidazole
CID 69392439
1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole
CID 69395781
2-hexyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69389120
2-heptyl-1-hexyl-3-undecyl-2H-imidazole
CID 69389908
2-decyl-1-hexyl-3-octyl-2H-imidazole
CID 69390562
1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole
CID 69393336
2-octyl-1-pentyl-3-tridecyl-2H-imidazole
CID 69392381
2-hexyl-1-tetradecyl-3-undecyl-2H-imidazole
CID 69389447
1-dodecyl-2,3-dioctadecyl-2H-imidazole
CID 69396437
1,3-dihexyl-2-octadecyl-2H-imidazole
CID 69391687
1-hexadecyl-3-pentyl-2-undecyl-2H-imidazole
CID 69391035

Frequently Asked Questions

What is the IUPAC name of 1,3-didecyl-2-heptyl-2H-imidazole?
The IUPAC name of 1,3-didecyl-2-heptyl-2H-imidazole (CID 69393808) is 1,3-didecyl-2-heptyl-2H-imidazole.
What is the SMILES notation for 1,3-didecyl-2-heptyl-2H-imidazole?
The canonical SMILES for 1,3-didecyl-2-heptyl-2H-imidazole is CCCCCCCCCCN1C=CN(CCCCCCCCCC)C1CCCCCCC.
What is the InChIKey of 1,3-didecyl-2-heptyl-2H-imidazole?
The InChIKey is MWNFNXYVMJMMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N2/c1-4-7-10-13-15-17-20-23-26-31-28-29-32(30(31)25-22-19-12-9-6-3)27-24-21-18-16-14-11-8-5-2/h28-30H,4-27H2,1-3H3.
What are the key properties of 1,3-didecyl-2-heptyl-2H-imidazole?
1,3-didecyl-2-heptyl-2H-imidazole has a molecular weight of 448.82 g/mol, XLogP of 10.04, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-didecyl-2-heptyl-2H-imidazole is sourced from PubChem (CID 69393808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).