9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline

C26H24N2 — CID 58517849

IUPAC9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline
SMILESCc1cc(C)c(-c2cc3ccccc3c3nc4cc(C)c(C)cc4n23)c(C)c1
InChIInChI=1S/C26H24N2/c1-15-10-18(4)25(19(5)11-15)24-14-20-8-6-7-9-21(20)26-27-22-12-16(2)17(3)13-23(22)28(24)26/h6-14H,1-5H3
InChIKeyFTLVLELOQMPKEV-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.85
Rot. Bonds1

About 9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline

9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline (PubChem CID 58517849) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline
PubChem CID58517849
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline
SMILESCc1cc(C)c(-c2cc3ccccc3c3nc4cc(C)c(C)cc4n23)c(C)c1
InChIInChI=1S/C26H24N2/c1-15-10-18(4)25(19(5)11-15)24-14-20-8-6-7-9-21(20)26-27-22-12-16(2)17(3)13-23(22)28(24)26/h6-14H,1-5H3
InChIKeyFTLVLELOQMPKEV-UHFFFAOYSA-N
XLogP6.85
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinoline
CID 58517975
6-(3-methylphenyl)benzimidazolo[2,1-a]isoquinoline
CID 138980951
3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine
CID 89476295
6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione
CID 146510594
butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane
CID 144768129
2-methyl-6-(2,4,6-trimethylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652117
2-methyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 59358732
3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline
CID 70651033
12,18-dimethyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 143996049
1,3-dimethylnaphthalene;ethane
CID 145447624
10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 59358314
5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one
CID 102452373

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline?
The IUPAC name of 9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline (CID 58517849) is 9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline.
What is the SMILES notation for 9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline?
The canonical SMILES for 9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline is Cc1cc(C)c(-c2cc3ccccc3c3nc4cc(C)c(C)cc4n23)c(C)c1.
What is the InChIKey of 9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline?
The InChIKey is FTLVLELOQMPKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2/c1-15-10-18(4)25(19(5)11-15)24-14-20-8-6-7-9-21(20)26-27-22-12-16(2)17(3)13-23(22)28(24)26/h6-14H,1-5H3.
What are the key properties of 9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline?
9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline has a molecular weight of 364.49 g/mol, XLogP of 6.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline is sourced from PubChem (CID 58517849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).