1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-3,3a,4,5,6,7-hexahydroinden-1-yl]benzimidazole

C24H34N2 — CID 129049276

IUPAC1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-3,3a,4,5,6,7-hexahydroinden-1-yl]benzimidazole
SMILESCCCC(C)(C)C1CCC2(C)C(n3cnc4ccccc43)=CCC2C1C
InChIInChI=1S/C24H34N2/c1-6-14-23(3,4)18-13-15-24(5)19(17(18)2)11-12-22(24)26-16-25-20-9-7-8-10-21(20)26/h7-10,12,16-19H,6,11,13-15H2,1-5H3
InChIKeyRNLGFNKFYRGUBR-UHFFFAOYSA-N
MW350.55 g/mol
LogP6.78
Rot. Bonds4

About 1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-3,3a,4,5,6,7-hexahydroinden-1-yl]benzimidazole

1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-3,3a,4,5,6,7-hexahydroinden-1-yl]benzimidazole (PubChem CID 129049276) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-3,3a,4,5,6,7-hexahydroinden-1-yl]benzimidazole.

Molecular Properties

Compound Name1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-3,3a,4,5,6,7-hexahydroinden-1-yl]benzimidazole
PubChem CID129049276
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC Name1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-3,3a,4,5,6,7-hexahydroinden-1-yl]benzimidazole
SMILESCCCC(C)(C)C1CCC2(C)C(n3cnc4ccccc43)=CCC2C1C
InChIInChI=1S/C24H34N2/c1-6-14-23(3,4)18-13-15-24(5)19(17(18)2)11-12-22(24)26-16-25-20-9-7-8-10-21(20)26/h7-10,12,16-19H,6,11,13-15H2,1-5H3
InChIKeyRNLGFNKFYRGUBR-UHFFFAOYSA-N
XLogP6.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-3,3a,4,5,6,7-hexahydroinden-1-yl]benzimidazole?
The IUPAC name of 1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-3,3a,4,5,6,7-hexahydroinden-1-yl]benzimidazole (CID 129049276) is 1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-3,3a,4,5,6,7-hexahydroinden-1-yl]benzimidazole.
What is the SMILES notation for 1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-3,3a,4,5,6,7-hexahydroinden-1-yl]benzimidazole?
The canonical SMILES for 1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-3,3a,4,5,6,7-hexahydroinden-1-yl]benzimidazole is CCCC(C)(C)C1CCC2(C)C(n3cnc4ccccc43)=CCC2C1C.
What is the InChIKey of 1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-3,3a,4,5,6,7-hexahydroinden-1-yl]benzimidazole?
The InChIKey is RNLGFNKFYRGUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2/c1-6-14-23(3,4)18-13-15-24(5)19(17(18)2)11-12-22(24)26-16-25-20-9-7-8-10-21(20)26/h7-10,12,16-19H,6,11,13-15H2,1-5H3.
What are the key properties of 1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-3,3a,4,5,6,7-hexahydroinden-1-yl]benzimidazole?
1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-3,3a,4,5,6,7-hexahydroinden-1-yl]benzimidazole has a molecular weight of 350.55 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,7a-dimethyl-5-(2-methylpentan-2-yl)-3,3a,4,5,6,7-hexahydroinden-1-yl]benzimidazole is sourced from PubChem (CID 129049276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).