2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid

C24H28N2O2 — CID 46835962

IUPAC2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid
SMILESCc1cc2c(cc1-n1c(C)nc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H28N2O2/c1-14-11-17-18(24(5,6)10-9-23(17,3)4)13-21(14)26-15(2)25-19-12-16(22(27)28)7-8-20(19)26/h7-8,11-13H,9-10H2,1-6H3,(H,27,28)
InChIKeyMTVGGNSDBDOGRH-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.69
Rot. Bonds2

About 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid

2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid (PubChem CID 46835962) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid
PubChem CID46835962
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid
SMILESCc1cc2c(cc1-n1c(C)nc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C
InChIInChI=1S/C24H28N2O2/c1-14-11-17-18(24(5,6)10-9-23(17,3)4)13-21(14)26-15(2)25-19-12-16(22(27)28)7-8-20(19)26/h7-8,11-13H,9-10H2,1-6H3,(H,27,28)
InChIKeyMTVGGNSDBDOGRH-UHFFFAOYSA-N
XLogP5.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid (CID 46835962) is 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid is Cc1cc2c(cc1-n1c(C)nc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C.
What is the InChIKey of 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid?
The InChIKey is MTVGGNSDBDOGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-14-11-17-18(24(5,6)10-9-23(17,3)4)13-21(14)26-15(2)25-19-12-16(22(27)28)7-8-20(19)26/h7-8,11-13H,9-10H2,1-6H3,(H,27,28).
What are the key properties of 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid?
2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid has a molecular weight of 376.50 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 46835962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).