6-ethyl-6-methyl-12-phenyl-5H-benzimidazolo[2,1-a]isoquinolin-7-ium

C24H23N2+ — CID 123166078

IUPAC6-ethyl-6-methyl-12-phenyl-5H-benzimidazolo[2,1-a]isoquinolin-7-ium
SMILESCCC1(C)Cc2ccccc2-c2n(-c3ccccc3)c3ccccc3[n+]21
InChIInChI=1S/C24H23N2/c1-3-24(2)17-18-11-7-8-14-20(18)23-25(19-12-5-4-6-13-19)21-15-9-10-16-22(21)26(23)24/h4-16H,3,17H2,1-2H3/q+1
InChIKeyFBARVKQMTNPBKI-UHFFFAOYSA-N
MW339.46 g/mol
LogP5.27
Rot. Bonds2

About 6-ethyl-6-methyl-12-phenyl-5H-benzimidazolo[2,1-a]isoquinolin-7-ium

6-ethyl-6-methyl-12-phenyl-5H-benzimidazolo[2,1-a]isoquinolin-7-ium (PubChem CID 123166078) has the molecular formula C24H23N2+ and a molecular weight of 339.46 g/mol. Its IUPAC name is 6-ethyl-6-methyl-12-phenyl-5H-benzimidazolo[2,1-a]isoquinolin-7-ium.

Molecular Properties

Compound Name6-ethyl-6-methyl-12-phenyl-5H-benzimidazolo[2,1-a]isoquinolin-7-ium
PubChem CID123166078
Molecular FormulaC24H23N2+
Molecular Weight339.46 g/mol
Exact Mass339.19
IUPAC Name6-ethyl-6-methyl-12-phenyl-5H-benzimidazolo[2,1-a]isoquinolin-7-ium
SMILESCCC1(C)Cc2ccccc2-c2n(-c3ccccc3)c3ccccc3[n+]21
InChIInChI=1S/C24H23N2/c1-3-24(2)17-18-11-7-8-14-20(18)23-25(19-12-5-4-6-13-19)21-15-9-10-16-22(21)26(23)24/h4-16H,3,17H2,1-2H3/q+1
InChIKeyFBARVKQMTNPBKI-UHFFFAOYSA-N
XLogP5.27
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.46
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,5-diethyl-13-phenyl-13-aza-1-azoniapentacyclo[10.7.0.02,5.06,11.014,19]nonadeca-1(12),6,8,10,14,16,18-heptaene
CID 91513471
6-ethenyl-5,6-diethyl-5-methyl-12-phenylbenzimidazolo[2,1-a]isoquinolin-7-ium
CID 123781734
6,6-diethyl-7H-isoquinolino[2,1-a]quinolin-5-ium
CID 123727541
12-phenyl-6H-benzimidazolo[1,2-c][1,3]benzoxazin-7-ium
CID 21301911
1-methyl-2-[4-[10-[4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)phenyl]anthracen-9-yl]phenyl]-3-phenylbenzimidazol-1-ium
CID 123805851
22-phenyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 159131557
3-methyl-2-(2-methylphenyl)-1,5-diphenylbenzimidazol-3-ium
CID 161260504
11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554
1-methyl-2-[2-methyl-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylbenzimidazol-1-ium
CID 166051589
2-(2,5-dimethyl-4-propan-2-ylphenyl)-1-methyl-3-phenylbenzimidazol-1-ium
CID 159100158
2,4-dimethyl-5-(2-methylphenyl)-1-phenylpyrrolo[3,2-b]pyridin-4-ium
CID 157436828
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58987327

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methyl-12-phenyl-5H-benzimidazolo[2,1-a]isoquinolin-7-ium?
The IUPAC name of 6-ethyl-6-methyl-12-phenyl-5H-benzimidazolo[2,1-a]isoquinolin-7-ium (CID 123166078) is 6-ethyl-6-methyl-12-phenyl-5H-benzimidazolo[2,1-a]isoquinolin-7-ium.
What is the SMILES notation for 6-ethyl-6-methyl-12-phenyl-5H-benzimidazolo[2,1-a]isoquinolin-7-ium?
The canonical SMILES for 6-ethyl-6-methyl-12-phenyl-5H-benzimidazolo[2,1-a]isoquinolin-7-ium is CCC1(C)Cc2ccccc2-c2n(-c3ccccc3)c3ccccc3[n+]21.
What is the InChIKey of 6-ethyl-6-methyl-12-phenyl-5H-benzimidazolo[2,1-a]isoquinolin-7-ium?
The InChIKey is FBARVKQMTNPBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N2/c1-3-24(2)17-18-11-7-8-14-20(18)23-25(19-12-5-4-6-13-19)21-15-9-10-16-22(21)26(23)24/h4-16H,3,17H2,1-2H3/q+1.
What are the key properties of 6-ethyl-6-methyl-12-phenyl-5H-benzimidazolo[2,1-a]isoquinolin-7-ium?
6-ethyl-6-methyl-12-phenyl-5H-benzimidazolo[2,1-a]isoquinolin-7-ium has a molecular weight of 339.46 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methyl-12-phenyl-5H-benzimidazolo[2,1-a]isoquinolin-7-ium is sourced from PubChem (CID 123166078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).