2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole

C18H24N2O — CID 102901096

IUPAC2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole
SMILESCCc1nc2ccccc2n1CC1CCC2(CCCC2)O1
InChIInChI=1S/C18H24N2O/c1-2-17-19-15-7-3-4-8-16(15)20(17)13-14-9-12-18(21-14)10-5-6-11-18/h3-4,7-8,14H,2,5-6,9-13H2,1H3
InChIKeyWWVZLVIXXMJBDL-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.09
Rot. Bonds3

About 2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole

2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole (PubChem CID 102901096) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole
PubChem CID102901096
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole
SMILESCCc1nc2ccccc2n1CC1CCC2(CCCC2)O1
InChIInChI=1S/C18H24N2O/c1-2-17-19-15-7-3-4-8-16(15)20(17)13-14-9-12-18(21-14)10-5-6-11-18/h3-4,7-8,14H,2,5-6,9-13H2,1H3
InChIKeyWWVZLVIXXMJBDL-UHFFFAOYSA-N
XLogP4.09
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole?
The IUPAC name of 2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole (CID 102901096) is 2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole.
What is the SMILES notation for 2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole?
The canonical SMILES for 2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole is CCc1nc2ccccc2n1CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole?
The InChIKey is WWVZLVIXXMJBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-17-19-15-7-3-4-8-16(15)20(17)13-14-9-12-18(21-14)10-5-6-11-18/h3-4,7-8,14H,2,5-6,9-13H2,1H3.
What are the key properties of 2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole?
2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole has a molecular weight of 284.40 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)benzimidazole is sourced from PubChem (CID 102901096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).