1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole

C24H40N2 — CID 130280296

IUPAC1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole
SMILESCCC1CCC2(N3C=CN(C45CCCC(CC(C)C4)C5)C3)CCCC1C2
InChIInChI=1S/C24H40N2/c1-3-21-8-11-23(9-5-7-22(21)17-23)25-12-13-26(18-25)24-10-4-6-20(16-24)14-19(2)15-24/h12-13,19-22H,3-11,14-18H2,1-2H3
InChIKeyKOYNTECDQHJKSZ-UHFFFAOYSA-N
MW356.60 g/mol
LogP6.14
Rot. Bonds3

About 1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole

1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole (PubChem CID 130280296) has the molecular formula C24H40N2 and a molecular weight of 356.60 g/mol. Its IUPAC name is 1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole.

Molecular Properties

Compound Name1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole
PubChem CID130280296
Molecular FormulaC24H40N2
Molecular Weight356.60 g/mol
Exact Mass356.32
IUPAC Name1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole
SMILESCCC1CCC2(N3C=CN(C45CCCC(CC(C)C4)C5)C3)CCCC1C2
InChIInChI=1S/C24H40N2/c1-3-21-8-11-23(9-5-7-22(21)17-23)25-12-13-26(18-25)24-10-4-6-20(16-24)14-19(2)15-24/h12-13,19-22H,3-11,14-18H2,1-2H3
InChIKeyKOYNTECDQHJKSZ-UHFFFAOYSA-N
XLogP6.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole?
The IUPAC name of 1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole (CID 130280296) is 1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole.
What is the SMILES notation for 1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole?
The canonical SMILES for 1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole is CCC1CCC2(N3C=CN(C45CCCC(CC(C)C4)C5)C3)CCCC1C2.
What is the InChIKey of 1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole?
The InChIKey is KOYNTECDQHJKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2/c1-3-21-8-11-23(9-5-7-22(21)17-23)25-12-13-26(18-25)24-10-4-6-20(16-24)14-19(2)15-24/h12-13,19-22H,3-11,14-18H2,1-2H3.
What are the key properties of 1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole?
1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole has a molecular weight of 356.60 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2H-imidazole is sourced from PubChem (CID 130280296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).