4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid

C22H24N2O2 — CID 10089114

IUPAC4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc3[nH]c(-c4ccc(C(=O)O)cc4)nc3cc21
InChIInChI=1S/C22H24N2O2/c1-21(2)9-10-22(3,4)16-12-18-17(11-15(16)21)23-19(24-18)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyFWTYUXRUIWOXIW-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.28
Rot. Bonds2

About 4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid

4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid (PubChem CID 10089114) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid
PubChem CID10089114
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc3[nH]c(-c4ccc(C(=O)O)cc4)nc3cc21
InChIInChI=1S/C22H24N2O2/c1-21(2)9-10-22(3,4)16-12-18-17(11-15(16)21)23-19(24-18)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyFWTYUXRUIWOXIW-UHFFFAOYSA-N
XLogP5.28
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid?
The IUPAC name of 4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid (CID 10089114) is 4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid.
What is the SMILES notation for 4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid?
The canonical SMILES for 4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid is CC1(C)CCC(C)(C)c2cc3[nH]c(-c4ccc(C(=O)O)cc4)nc3cc21.
What is the InChIKey of 4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid?
The InChIKey is FWTYUXRUIWOXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-21(2)9-10-22(3,4)16-12-18-17(11-15(16)21)23-19(24-18)13-5-7-14(8-6-13)20(25)26/h5-8,11-12H,9-10H2,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid?
4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid has a molecular weight of 348.45 g/mol, XLogP of 5.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5,8,8-tetramethyl-6,7-dihydro-1H-benzo[f]benzimidazol-2-yl)benzoic acid is sourced from PubChem (CID 10089114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).