3,5,5,8,8-pentamethyl-2-(4-methylphenyl)-6,7-dihydrobenzo[f]benzimidazole

C23H28N2 — CID 20709738

IUPAC3,5,5,8,8-pentamethyl-2-(4-methylphenyl)-6,7-dihydrobenzo[f]benzimidazole
SMILESCc1ccc(-c2nc3cc4c(cc3n2C)C(C)(C)CCC4(C)C)cc1
InChIInChI=1S/C23H28N2/c1-15-7-9-16(10-8-15)21-24-19-13-17-18(14-20(19)25(21)6)23(4,5)12-11-22(17,2)3/h7-10,13-14H,11-12H2,1-6H3
InChIKeyYXASUHSKZHREMB-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.90
Rot. Bonds1

About 3,5,5,8,8-pentamethyl-2-(4-methylphenyl)-6,7-dihydrobenzo[f]benzimidazole

3,5,5,8,8-pentamethyl-2-(4-methylphenyl)-6,7-dihydrobenzo[f]benzimidazole (PubChem CID 20709738) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 3,5,5,8,8-pentamethyl-2-(4-methylphenyl)-6,7-dihydrobenzo[f]benzimidazole.

Molecular Properties

Compound Name3,5,5,8,8-pentamethyl-2-(4-methylphenyl)-6,7-dihydrobenzo[f]benzimidazole
PubChem CID20709738
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name3,5,5,8,8-pentamethyl-2-(4-methylphenyl)-6,7-dihydrobenzo[f]benzimidazole
SMILESCc1ccc(-c2nc3cc4c(cc3n2C)C(C)(C)CCC4(C)C)cc1
InChIInChI=1S/C23H28N2/c1-15-7-9-16(10-8-15)21-24-19-13-17-18(14-20(19)25(21)6)23(4,5)12-11-22(17,2)3/h7-10,13-14H,11-12H2,1-6H3
InChIKeyYXASUHSKZHREMB-UHFFFAOYSA-N
XLogP5.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5,5,8,8-tetramethyl-3-propan-2-yl-6,7-dihydrobenzo[f]benzimidazol-2-yl)benzoic acid
CID 10385740
3-methyl-2-(4-methylphenyl)benzimidazol-5-ol
CID 84700718
4-(1,6-dimethylbenzimidazol-2-yl)aniline
CID 84628854
1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene
CID 21477505
5,5,8,8-tetramethyl-3-(4-methylphenyl)-6,7-dihydroisoquinoline
CID 129074693
4-(4-methylphenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)furan
CID 14726505
1-methyl-2-[4-(1-methyl-5-nitrobenzimidazol-2-yl)phenyl]-5-nitrobenzimidazole
CID 138618315
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
17-tert-butyl-5,5,8,8-tetramethyl-1,12,18-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,9,12,14(19),15,17,20-octaene
CID 70652142
5-(2-methoxyethyl)-1,7,7-trimethyl-2-pyridin-4-ylpyrrolo[2,3-f]benzimidazol-6-one
CID 70422645
2-(4-bromophenyl)-1-methylbenzimidazol-5-amine
CID 83969010
1-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 123164452

Frequently Asked Questions

What is the IUPAC name of 3,5,5,8,8-pentamethyl-2-(4-methylphenyl)-6,7-dihydrobenzo[f]benzimidazole?
The IUPAC name of 3,5,5,8,8-pentamethyl-2-(4-methylphenyl)-6,7-dihydrobenzo[f]benzimidazole (CID 20709738) is 3,5,5,8,8-pentamethyl-2-(4-methylphenyl)-6,7-dihydrobenzo[f]benzimidazole.
What is the SMILES notation for 3,5,5,8,8-pentamethyl-2-(4-methylphenyl)-6,7-dihydrobenzo[f]benzimidazole?
The canonical SMILES for 3,5,5,8,8-pentamethyl-2-(4-methylphenyl)-6,7-dihydrobenzo[f]benzimidazole is Cc1ccc(-c2nc3cc4c(cc3n2C)C(C)(C)CCC4(C)C)cc1.
What is the InChIKey of 3,5,5,8,8-pentamethyl-2-(4-methylphenyl)-6,7-dihydrobenzo[f]benzimidazole?
The InChIKey is YXASUHSKZHREMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-15-7-9-16(10-8-15)21-24-19-13-17-18(14-20(19)25(21)6)23(4,5)12-11-22(17,2)3/h7-10,13-14H,11-12H2,1-6H3.
What are the key properties of 3,5,5,8,8-pentamethyl-2-(4-methylphenyl)-6,7-dihydrobenzo[f]benzimidazole?
3,5,5,8,8-pentamethyl-2-(4-methylphenyl)-6,7-dihydrobenzo[f]benzimidazole has a molecular weight of 332.49 g/mol, XLogP of 5.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5,8,8-pentamethyl-2-(4-methylphenyl)-6,7-dihydrobenzo[f]benzimidazole is sourced from PubChem (CID 20709738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).