5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole

C18H24N2O — CID 116618591

IUPAC5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole
SMILESCc1cc2ncn(C3CCOC4(CCCC4)C3)c2cc1C
InChIInChI=1S/C18H24N2O/c1-13-9-16-17(10-14(13)2)20(12-19-16)15-5-8-21-18(11-15)6-3-4-7-18/h9-10,12,15H,3-8,11H2,1-2H3
InChIKeyLLTYRBGWYYAQJU-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.32
Rot. Bonds1

About 5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole

5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole (PubChem CID 116618591) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole
PubChem CID116618591
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole
SMILESCc1cc2ncn(C3CCOC4(CCCC4)C3)c2cc1C
InChIInChI=1S/C18H24N2O/c1-13-9-16-17(10-14(13)2)20(12-19-16)15-5-8-21-18(11-15)6-3-4-7-18/h9-10,12,15H,3-8,11H2,1-2H3
InChIKeyLLTYRBGWYYAQJU-UHFFFAOYSA-N
XLogP4.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-5,6-dimethylbenzimidazole
CID 115900464
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
CID 79920836
2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide
CID 81340557
2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole
CID 79919368
5-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole
CID 116811722
6-chloro-3-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
CID 114582130
1-(5-oxaspiro[3.5]nonan-8-yl)imidazol-4-amine
CID 165465012
6-(5,6-dimethylbenzimidazol-1-yl)-N,2,2-trimethylcyclohexan-1-amine
CID 79836530
1-cyclobutyl-6-fluoro-5-methylbenzimidazole;ethane
CID 162381496
1-(5-oxaspiro[3.5]nonan-8-yl)-1,2,4-triazole-3-carbonitrile
CID 79920603
5-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylcyclopentan-1-amine
CID 79860095
4-(chloromethyl)-3,5-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)pyrazole
CID 79919935

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole?
The IUPAC name of 5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole (CID 116618591) is 5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole.
What is the SMILES notation for 5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole?
The canonical SMILES for 5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole is Cc1cc2ncn(C3CCOC4(CCCC4)C3)c2cc1C.
What is the InChIKey of 5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole?
The InChIKey is LLTYRBGWYYAQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-9-16-17(10-14(13)2)20(12-19-16)15-5-8-21-18(11-15)6-3-4-7-18/h9-10,12,15H,3-8,11H2,1-2H3.
What are the key properties of 5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole?
5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole has a molecular weight of 284.40 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole is sourced from PubChem (CID 116618591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).