6-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-7-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)isoquinoline;2-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-3-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)quinoline

C150H132N18+6 — CID 157054808

IUPAC6-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-7-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)isoquinoline;2-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-3-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)quinoline
SMILES[2H]C([2H])([2H])c1c(-n2c(-c3ccccc3C)[n+](C)c3ccccc32)ccc2cccnc12.[2H]C([2H])([2H])c1c(-n2c(-c3ccccc3C)[n+](C)c3ccccc32)ccc2ccncc12.[2H]C([2H])([2H])c1cc2ccccc2nc1-n1c(-c2ccccc2C)[n+](C)c2ccccc21.[2H]C([2H])([2H])c1cc2cccnc2cc1-n1c(-c2ccccc2C)[n+](C)c2ccccc21.[2H]C([2H])([2H])c1cc2ccncc2cc1-n1c(-c2ccccc2C)[n+](C)c2ccccc21.[2H]C([2H])([2H])c1cc2cnccc2cc1-n1c(-c2ccccc2C)[n+](C)c2ccccc21
InChIInChI=1S/6C25H22N3/c1-17-10-4-6-12-20(17)25-27(3)22-14-8-9-15-23(22)28(25)24-18(2)16-19-11-5-7-13-21(19)26-24;1-17-9-4-5-11-20(17)25-27(3)22-12-6-7-13-23(22)28(25)21-15-14-19-10-8-16-26-24(19)18(21)2;1-17-9-4-5-11-20(17)25-27(3)22-12-6-7-13-23(22)28(25)24-16-21-19(15-18(24)2)10-8-14-26-21;1-17-8-4-5-9-21(17)25-27(3)22-10-6-7-11-23(22)28(25)24-15-19-12-13-26-16-20(19)14-18(24)2;1-17-8-4-5-9-21(17)25-27(3)22-10-6-7-11-23(22)28(25)24-15-20-16-26-13-12-19(20)14-18(24)2;1-17-8-4-5-9-20(17)25-27(3)23-10-6-7-11-24(23)28(25)22-13-12-19-14-15-26-16-21(19)18(22)2/h6*4-16H,1-3H3/q6*+1/i6*2D3
InChIKeyBDKDUUIUYFVDRS-JCVKMMNSSA-N
MW2204.94 g/mol
LogP31.72
Rot. Bonds18

About 6-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-7-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)isoquinoline;2-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-3-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)quinoline

6-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-7-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)isoquinoline;2-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-3-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)quinoline (PubChem CID 157054808) has the molecular formula C150H132N18+6 and a molecular weight of 2204.94 g/mol. Its IUPAC name is 6-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-7-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)isoquinoline;2-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-3-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)quinoline.

Molecular Properties

Compound Name6-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-7-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)isoquinoline;2-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-3-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)quinoline
PubChem CID157054808
Molecular FormulaC150H132N18+6
Molecular Weight2204.94 g/mol
Exact Mass2203.20
IUPAC Name6-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-7-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)isoquinoline;2-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-3-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)quinoline
SMILES[2H]C([2H])([2H])c1c(-n2c(-c3ccccc3C)[n+](C)c3ccccc32)ccc2cccnc12.[2H]C([2H])([2H])c1c(-n2c(-c3ccccc3C)[n+](C)c3ccccc32)ccc2ccncc12.[2H]C([2H])([2H])c1cc2ccccc2nc1-n1c(-c2ccccc2C)[n+](C)c2ccccc21.[2H]C([2H])([2H])c1cc2cccnc2cc1-n1c(-c2ccccc2C)[n+](C)c2ccccc21.[2H]C([2H])([2H])c1cc2ccncc2cc1-n1c(-c2ccccc2C)[n+](C)c2ccccc21.[2H]C([2H])([2H])c1cc2cnccc2cc1-n1c(-c2ccccc2C)[n+](C)c2ccccc21
InChIInChI=1S/6C25H22N3/c1-17-10-4-6-12-20(17)25-27(3)22-14-8-9-15-23(22)28(25)24-18(2)16-19-11-5-7-13-21(19)26-24;1-17-9-4-5-11-20(17)25-27(3)22-12-6-7-13-23(22)28(25)21-15-14-19-10-8-16-26-24(19)18(21)2;1-17-9-4-5-11-20(17)25-27(3)22-12-6-7-13-23(22)28(25)24-16-21-19(15-18(24)2)10-8-14-26-21;1-17-8-4-5-9-21(17)25-27(3)22-10-6-7-11-23(22)28(25)24-15-19-12-13-26-16-20(19)14-18(24)2;1-17-8-4-5-9-21(17)25-27(3)22-10-6-7-11-23(22)28(25)24-15-20-16-26-13-12-19(20)14-18(24)2;1-17-8-4-5-9-20(17)25-27(3)23-10-6-7-11-24(23)28(25)22-13-12-19-14-15-26-16-21(19)18(22)2/h6*4-16H,1-3H3/q6*+1/i6*2D3
InChIKeyBDKDUUIUYFVDRS-JCVKMMNSSA-N
XLogP31.72
TPSA130.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002204.94
LogP ≤ 531.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-7-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)isoquinoline;2-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-3-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[5,6-Dimethyl-2-(3-methylimidazol-4-yl)benzimidazol-1-yl]quinazoline-2,4-diamine
CID 76314760
7-Methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566631
3,6-bis[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]-9-[4-(4-methylpiperazin-1-yl)butyl]carbazole
CID 137100819
Sampangine deriv.
CID 492657
Ru(II)(phen)2(phen-cyclam-Ni(II)
CID 16683885
Ru(II)(phen)2(phen-cyclam-Cu(II)
CID 16683886
Ru(II)(phen)2(phen-cyclam-Fe(III))
CID 16683887
Ru(II)(phen)2(phen-cyclam-Co(III)-Cl2)
CID 16683888
(Mu-11,11'-Bidipyrido[3,2-A:2',3'-C]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~4'~,N~5'~)[tetrakis(1,10-Phenanthroline-Kappa~2~n~1~,N~10~)]diruthenium
CID 73010381
iron(2+);bis(2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline);diisothiocyanate
CID 139166165
13-(Trifluoromethyl)benzo[4,5]imidazo[1,2-a][1,10]phenanthroline
CID 139192824
1-Methyl-2-(9-anthryl)imidazo[4,5-f]-[1,10]phenanthroline
CID 58995814

Frequently Asked Questions

What is the IUPAC name of 6-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-7-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)isoquinoline;2-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-3-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)quinoline?
The IUPAC name of 6-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-7-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)isoquinoline;2-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-3-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)quinoline (CID 157054808) is 6-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-7-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)isoquinoline;2-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-3-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)quinoline.
What is the SMILES notation for 6-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-7-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)isoquinoline;2-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-3-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)quinoline?
The canonical SMILES for 6-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-7-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)isoquinoline;2-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-3-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)quinoline is [2H]C([2H])([2H])c1c(-n2c(-c3ccccc3C)[n+](C)c3ccccc32)ccc2cccnc12.[2H]C([2H])([2H])c1c(-n2c(-c3ccccc3C)[n+](C)c3ccccc32)ccc2ccncc12.[2H]C([2H])([2H])c1cc2ccccc2nc1-n1c(-c2ccccc2C)[n+](C)c2ccccc21.[2H]C([2H])([2H])c1cc2cccnc2cc1-n1c(-c2ccccc2C)[n+](C)c2ccccc21.[2H]C([2H])([2H])c1cc2ccncc2cc1-n1c(-c2ccccc2C)[n+](C)c2ccccc21.[2H]C([2H])([2H])c1cc2cnccc2cc1-n1c(-c2ccccc2C)[n+](C)c2ccccc21.
What is the InChIKey of 6-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-7-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)isoquinoline;2-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-3-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)quinoline?
The InChIKey is BDKDUUIUYFVDRS-JCVKMMNSSA-N. The full InChI is InChI=1S/6C25H22N3/c1-17-10-4-6-12-20(17)25-27(3)22-14-8-9-15-23(22)28(25)24-18(2)16-19-11-5-7-13-21(19)26-24;1-17-9-4-5-11-20(17)25-27(3)22-12-6-7-13-23(22)28(25)21-15-14-19-10-8-16-26-24(19)18(21)2;1-17-9-4-5-11-20(17)25-27(3)22-12-6-7-13-23(22)28(25)24-16-21-19(15-18(24)2)10-8-14-26-21;1-17-8-4-5-9-21(17)25-27(3)22-10-6-7-11-23(22)28(25)24-15-19-12-13-26-16-20(19)14-18(24)2;1-17-8-4-5-9-21(17)25-27(3)22-10-6-7-11-23(22)28(25)24-15-20-16-26-13-12-19(20)14-18(24)2;1-17-8-4-5-9-20(17)25-27(3)23-10-6-7-11-24(23)28(25)22-13-12-19-14-15-26-16-21(19)18(22)2/h6*4-16H,1-3H3/q6*+1/i6*2D3.
What are the key properties of 6-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-7-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)isoquinoline;2-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-3-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)quinoline?
6-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-7-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)isoquinoline;2-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-3-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)quinoline has a molecular weight of 2204.94 g/mol, XLogP of 31.72, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-7-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)isoquinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)isoquinoline;2-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-3-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6-(trideuteriomethyl)quinoline;7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-8-(trideuteriomethyl)quinoline is sourced from PubChem (CID 157054808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).