(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine

C160H238N13+5 — CID 159916807

IUPAC(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c1N1C(=CN(C)[C@@H]1C)c1ccccc1-2.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1ccccc1-c1c2c(cc[n+]1C)CCC2.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C
InChIInChI=1S/C18H18N2.C17H15N2.2C17H16N.C16H18N2.C16H18N.C12H16N2.C11H13N2.18C2H6/c1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-19(3)13(2)20(17)18(12)16;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;1-13-7-3-5-9-15(13)17-12-11-14-8-4-6-10-16(14)18(17)2;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-12-6-3-4-8-14(12)16-15-9-5-7-13(15)10-11-17(16)2;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;18*1-2/h4-11,13H,1-3H3;3-11H,1-2H3;2*3-12H,1-2H3;4-11,13H,1-3H3;3-4,6,8,10-11H,5,7,9H2,1-2H3;4-9,11H,1-3H3;3-9H,1-2H3;18*1-2H3/q;3*+1;;+1;;+1;;;;;;;;;;;;;;;;;;/t13-;;;;13-;;11-;;;;;;;;;;;;;;;;;;;/m0...0.0.................../s1
InChIKeyICXGSHGGEJGLGT-GGPKORMPSA-N
MW2343.75 g/mol
LogP44.28
Rot. Bonds6

About (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine

(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine (PubChem CID 159916807) has the molecular formula C160H238N13+5 and a molecular weight of 2343.75 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
PubChem CID159916807
Molecular FormulaC160H238N13+5
Molecular Weight2343.75 g/mol
Exact Mass2341.90
IUPAC Name(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c1N1C(=CN(C)[C@@H]1C)c1ccccc1-2.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1ccccc1-c1c2c(cc[n+]1C)CCC2.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C
InChIInChI=1S/C18H18N2.C17H15N2.2C17H16N.C16H18N2.C16H18N.C12H16N2.C11H13N2.18C2H6/c1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-19(3)13(2)20(17)18(12)16;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;1-13-7-3-5-9-15(13)17-12-11-14-8-4-6-10-16(14)18(17)2;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-12-6-3-4-8-14(12)16-15-9-5-7-13(15)10-11-17(16)2;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;18*1-2/h4-11,13H,1-3H3;3-11H,1-2H3;2*3-12H,1-2H3;4-11,13H,1-3H3;3-4,6,8,10-11H,5,7,9H2,1-2H3;4-9,11H,1-3H3;3-9H,1-2H3;18*1-2H3/q;3*+1;;+1;;+1;;;;;;;;;;;;;;;;;;/t13-;;;;13-;;11-;;;;;;;;;;;;;;;;;;;/m0...0.0.................../s1
InChIKeyICXGSHGGEJGLGT-GGPKORMPSA-N
XLogP44.28
TPSA48.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002343.75
LogP ≤ 544.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine?
The IUPAC name of (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine (CID 159916807) is (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine.
What is the SMILES notation for (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine?
The canonical SMILES for (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c1N1C(=CN(C)[C@@H]1C)c1ccccc1-2.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.Cc1ccccc1-c1c2c(cc[n+]1C)CCC2.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C.Cc1ccccc1-n1ccc[n+]1C.Cc1ccccc1N1C=CN(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.
What is the InChIKey of (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine?
The InChIKey is ICXGSHGGEJGLGT-GGPKORMPSA-N. The full InChI is InChI=1S/C18H18N2.C17H15N2.2C17H16N.C16H18N2.C16H18N.C12H16N2.C11H13N2.18C2H6/c1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-19(3)13(2)20(17)18(12)16;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15;1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;1-13-7-3-5-9-15(13)17-12-11-14-8-4-6-10-16(14)18(17)2;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-12-6-3-4-8-14(12)16-15-9-5-7-13(15)10-11-17(16)2;1-10-6-4-5-7-12(10)14-9-8-13(3)11(14)2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;18*1-2/h4-11,13H,1-3H3;3-11H,1-2H3;2*3-12H,1-2H3;4-11,13H,1-3H3;3-4,6,8,10-11H,5,7,9H2,1-2H3;4-9,11H,1-3H3;3-9H,1-2H3;18*1-2H3/q;3*+1;;+1;;+1;;;;;;;;;;;;;;;;;;/t13-;;;;13-;;11-;;;;;;;;;;;;;;;;;;;/m0...0.0.................../s1.
What are the key properties of (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine?
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine has a molecular weight of 2343.75 g/mol, XLogP of 44.28, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;2-methyl-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;(3S)-2,3,5-trimethyl-3H-imidazo[1,5-f]phenanthridine is sourced from PubChem (CID 159916807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).