4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;8-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline

C120H100N15+5 — CID 159450310

IUPAC4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;8-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline
SMILESCc1ccccc1-c1n(-c2cccc3ccncc23)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2cccc3cnccc23)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2cccc3ncccc23)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2ccnc3ccccc23)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2cncc3ccccc23)c2ccccc2[n+]1C
InChIInChI=1S/5C24H20N3/c1-17-9-3-5-11-19(17)24-26(2)21-13-7-8-14-22(21)27(24)23-16-25-15-18-10-4-6-12-20(18)23;1-17-9-3-4-10-18(17)24-26(2)22-13-5-6-14-23(22)27(24)21-15-7-12-20-19(21)11-8-16-25-20;1-17-9-3-4-10-18(17)24-26(2)22-13-7-8-14-23(22)27(24)21-15-16-25-20-12-6-5-11-19(20)21;1-17-8-3-4-10-19(17)24-26(2)22-11-5-6-12-23(22)27(24)21-13-7-9-18-16-25-15-14-20(18)21;1-17-8-3-4-10-19(17)24-26(2)22-11-5-6-12-23(22)27(24)21-13-7-9-18-14-15-25-16-20(18)21/h5*3-16H,1-2H3/q5*+1
InChIKeyGTPVCALTHXMQAH-UHFFFAOYSA-N
MW1752.22 g/mol
LogP24.89
Rot. Bonds10

About 4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;8-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline

4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;8-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline (PubChem CID 159450310) has the molecular formula C120H100N15+5 and a molecular weight of 1752.22 g/mol. Its IUPAC name is 4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;8-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline.

Molecular Properties

Compound Name4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;8-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline
PubChem CID159450310
Molecular FormulaC120H100N15+5
Molecular Weight1752.22 g/mol
Exact Mass1750.83
IUPAC Name4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;8-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline
SMILESCc1ccccc1-c1n(-c2cccc3ccncc23)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2cccc3cnccc23)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2cccc3ncccc23)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2ccnc3ccccc23)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2cncc3ccccc23)c2ccccc2[n+]1C
InChIInChI=1S/5C24H20N3/c1-17-9-3-5-11-19(17)24-26(2)21-13-7-8-14-22(21)27(24)23-16-25-15-18-10-4-6-12-20(18)23;1-17-9-3-4-10-18(17)24-26(2)22-13-5-6-14-23(22)27(24)21-15-7-12-20-19(21)11-8-16-25-20;1-17-9-3-4-10-18(17)24-26(2)22-13-7-8-14-23(22)27(24)21-15-16-25-20-12-6-5-11-19(20)21;1-17-8-3-4-10-19(17)24-26(2)22-11-5-6-12-23(22)27(24)21-13-7-9-18-16-25-15-14-20(18)21;1-17-8-3-4-10-19(17)24-26(2)22-11-5-6-12-23(22)27(24)21-13-7-9-18-14-15-25-16-20(18)21/h5*3-16H,1-2H3/q5*+1
InChIKeyGTPVCALTHXMQAH-UHFFFAOYSA-N
XLogP24.89
TPSA108.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001752.22
LogP ≤ 524.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;8-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline with MolForge

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Related Compounds

3-isoquinolin-5-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-isoquinolin-8-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-pyridin-2-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-quinolin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 161436165
1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzimidazol-1-ium
CID 158788712
ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline
CID 158608912
3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine
CID 79275014
3-isoquinolin-1-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-isoquinolin-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinazolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 158719482
4-indol-1-yl-8-quinolin-5-ylisoquinoline
CID 166707315
4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
CID 157141713
1-(2,6-dimethylphenyl)-2-(4,5-dimethyl-3-pyridinyl)-3-methylbenzimidazol-3-ium
CID 140847283
7-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]-6,8-di(propan-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 158080256
4-naphthalen-1-yl-1,6-naphthyridine
CID 166273330
7-phenyl-10-(9-phenylcarbazol-3-yl)pyrido[2,3-c]carbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)pyrido[3,4-c]carbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)pyrido[4,3-c]carbazole
CID 161022530
3,21-dimethyl-10,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 148752154

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;8-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline?
The IUPAC name of 4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;8-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline (CID 159450310) is 4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;8-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline.
What is the SMILES notation for 4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;8-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline?
The canonical SMILES for 4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;8-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline is Cc1ccccc1-c1n(-c2cccc3ccncc23)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2cccc3cnccc23)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2cccc3ncccc23)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2ccnc3ccccc23)c2ccccc2[n+]1C.Cc1ccccc1-c1n(-c2cncc3ccccc23)c2ccccc2[n+]1C.
What is the InChIKey of 4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;8-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline?
The InChIKey is GTPVCALTHXMQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/5C24H20N3/c1-17-9-3-5-11-19(17)24-26(2)21-13-7-8-14-22(21)27(24)23-16-25-15-18-10-4-6-12-20(18)23;1-17-9-3-4-10-18(17)24-26(2)22-13-5-6-14-23(22)27(24)21-15-7-12-20-19(21)11-8-16-25-20;1-17-9-3-4-10-18(17)24-26(2)22-13-7-8-14-23(22)27(24)21-15-16-25-20-12-6-5-11-19(20)21;1-17-8-3-4-10-19(17)24-26(2)22-11-5-6-12-23(22)27(24)21-13-7-9-18-16-25-15-14-20(18)21;1-17-8-3-4-10-19(17)24-26(2)22-11-5-6-12-23(22)27(24)21-13-7-9-18-14-15-25-16-20(18)21/h5*3-16H,1-2H3/q5*+1.
What are the key properties of 4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;8-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline?
4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;8-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline has a molecular weight of 1752.22 g/mol, XLogP of 24.89, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;8-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]isoquinoline;4-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline;5-[3-methyl-2-(2-methylphenyl)benzimidazol-3-ium-1-yl]quinoline is sourced from PubChem (CID 159450310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).