4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid

C24H28N2O2 — CID 10339505

IUPAC4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid
SMILESCCn1c(-c2ccc(C(=O)O)cc2)nc2cc3c(cc21)C(C)(C)CCC3(C)C
InChIInChI=1S/C24H28N2O2/c1-6-26-20-14-18-17(23(2,3)11-12-24(18,4)5)13-19(20)25-21(26)15-7-9-16(10-8-15)22(27)28/h7-10,13-14H,6,11-12H2,1-5H3,(H,27,28)
InChIKeyMSPZLTWRYABLPS-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.77
Rot. Bonds3

About 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid

4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid (PubChem CID 10339505) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid
PubChem CID10339505
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid
SMILESCCn1c(-c2ccc(C(=O)O)cc2)nc2cc3c(cc21)C(C)(C)CCC3(C)C
InChIInChI=1S/C24H28N2O2/c1-6-26-20-14-18-17(23(2,3)11-12-24(18,4)5)13-19(20)25-21(26)15-7-9-16(10-8-15)22(27)28/h7-10,13-14H,6,11-12H2,1-5H3,(H,27,28)
InChIKeyMSPZLTWRYABLPS-UHFFFAOYSA-N
XLogP5.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid?
The IUPAC name of 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid (CID 10339505) is 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid.
What is the SMILES notation for 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid?
The canonical SMILES for 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid is CCn1c(-c2ccc(C(=O)O)cc2)nc2cc3c(cc21)C(C)(C)CCC3(C)C.
What is the InChIKey of 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid?
The InChIKey is MSPZLTWRYABLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-6-26-20-14-18-17(23(2,3)11-12-24(18,4)5)13-19(20)25-21(26)15-7-9-16(10-8-15)22(27)28/h7-10,13-14H,6,11-12H2,1-5H3,(H,27,28).
What are the key properties of 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid?
4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid has a molecular weight of 376.50 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid is sourced from PubChem (CID 10339505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).