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

C25H30N2O2 — CID 10385740

IUPAC4-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid
SMILESCC(C)n1c(-c2ccc(C(=O)O)cc2)nc2cc3c(cc21)C(C)(C)CCC3(C)C
InChIInChI=1S/C25H30N2O2/c1-15(2)27-21-14-19-18(24(3,4)11-12-25(19,5)6)13-20(21)26-22(27)16-7-9-17(10-8-16)23(28)29/h7-10,13-15H,11-12H2,1-6H3,(H,28,29)
InChIKeyGNYQOVPZGLQENW-UHFFFAOYSA-N
MW390.53 g/mol
LogP6.33
Rot. Bonds3

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

4-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid (PubChem CID 10385740) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid
PubChem CID10385740
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name4-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid
SMILESCC(C)n1c(-c2ccc(C(=O)O)cc2)nc2cc3c(cc21)C(C)(C)CCC3(C)C
InChIInChI=1S/C25H30N2O2/c1-15(2)27-21-14-19-18(24(3,4)11-12-25(19,5)6)13-20(21)26-22(27)16-7-9-17(10-8-16)23(28)29/h7-10,13-15H,11-12H2,1-6H3,(H,28,29)
InChIKeyGNYQOVPZGLQENW-UHFFFAOYSA-N
XLogP6.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
CID 118232219
4-(1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915596
3,5,5,8,8-pentamethyl-2-(4-methylphenyl)-6,7-dihydrobenzo[f]benzimidazole
CID 20709738
4-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)benzoic acid
CID 54058308
4-(4,5,5,8,8-pentamethyl-6,7-dihydroanthracen-2-yl)benzoic acid
CID 57279387
4-(1,6,6,9,9-pentamethyl-4-oxo-7,8-dihydrobenzo[g]quinolin-2-yl)benzoic acid
CID 10475462
4-[5,5,8,8-tetramethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydrobenzo[f]indol-2-yl]benzoic acid
CID 57153120
3-(4-carboxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydroanthracene-1-carboxylic acid
CID 57284286
3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915206
4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrazol-1-yl]benzoic acid
CID 18990023
2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-benzoxazole-6-carboxylic acid
CID 18989944
6-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)pyridine-3-carboxylic acid
CID 102277539

Frequently Asked Questions

What is the IUPAC name of 4-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid?
The IUPAC name of 4-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid (CID 10385740) is 4-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid.
What is the SMILES notation for 4-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid?
The canonical SMILES for 4-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid is CC(C)n1c(-c2ccc(C(=O)O)cc2)nc2cc3c(cc21)C(C)(C)CCC3(C)C.
What is the InChIKey of 4-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid?
The InChIKey is GNYQOVPZGLQENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-15(2)27-21-14-19-18(24(3,4)11-12-25(19,5)6)13-20(21)26-22(27)16-7-9-17(10-8-16)23(28)29/h7-10,13-15H,11-12H2,1-6H3,(H,28,29).
What are the key properties of 4-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid?
4-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid has a molecular weight of 390.53 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid is sourced from PubChem (CID 10385740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).