4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-(3-methylphenyl)carbazole;3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-phenylcarbazole;4-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-3-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-3-methyl-9-phenylpyrido[2,3-b]indole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-6-methyl-9-phenylpyrido[2,3-b]indole;methane

C159H149N21 — CID 158994129

About 4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-(3-methylphenyl)carbazole;3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-phenylcarbazole;4-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-3-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-3-methyl-9-phenylpyrido[2,3-b]indole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-6-methyl-9-phenylpyrido[2,3-b]indole;methane

4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-(3-methylphenyl)carbazole;3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-phenylcarbazole;4-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-3-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-3-methyl-9-phenylpyrido[2,3-b]indole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-6-methyl-9-phenylpyrido[2,3-b]indole;methane (PubChem CID 158994129) has the molecular formula C159H149N21 and a molecular weight of 2354.09 g/mol. Its IUPAC name is 4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-(3-methylphenyl)carbazole;3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-phenylcarbazole;4-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-3-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-3-methyl-9-phenylpyrido[2,3-b]indole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-6-methyl-9-phenylpyrido[2,3-b]indole;methane.

Molecular Properties

• Compound Name: 4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-(3-methylphenyl)carbazole;3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-phenylcarbazole;4-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-3-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-3-methyl-9-phenylpyrido[2,3-b]indole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-6-methyl-9-phenylpyrido[2,3-b]indole;methane
• PubChem CID: 158994129
• Molecular Formula: C159H149N21
• Molecular Weight: 2354.09 g/mol
• Exact Mass: 2352.23
• IUPAC Name: 4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-(3-methylphenyl)carbazole;3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-phenylcarbazole;4-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-3-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-3-methyl-9-phenylpyrido[2,3-b]indole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-6-methyl-9-phenylpyrido[2,3-b]indole;methane
• SMILES: C.Cc1cc2c(cc1N1c3ccccc3N(C)[C@@H]1C)c1ccccc1n2-c1ccccc1.Cc1ccc2c(c1N1C=CN(C)[C@@H]1C)c1cccnc1n2-c1ccccc1.Cc1ccc2c(c1N1c3ccccc3N(C)[C@@H]1C)c1ccccc1n2-c1ccccc1.Cc1ccc2c(c1N1c3cccnc3N(C)[C@@H]1C)c1ccccc1n2-c1ccccc1.Cc1cccc(-n2c3ccccc3c3c(N4c5ccccc5N(C)[C@@H]4C)c(C)ccc32)c1.Cc1cnc2c(c1N1C=CN(C)[C@@H]1C)c1ccccc1n2-c1ccccc1
• InChI: InChI=1S/C29H27N3.2C28H25N3.C27H24N4.2C23H22N4.CH4/c1-19-10-9-11-22(18-19)32-24-13-6-5-12-23(24)28-27(32)17-16-20(2)29(28)31-21(3)30(4)25-14-7-8-15-26(25)31;1-19-17-28-23(18-27(19)30-20(2)29(3)25-15-9-10-16-26(25)30)22-13-7-8-14-24(22)31(28)21-11-5-4-6-12-21;1-19-17-18-26-27(28(19)30-20(2)29(3)24-15-9-10-16-25(24)30)22-13-7-8-14-23(22)31(26)21-11-5-4-6-12-21;1-18-15-16-23-25(26(18)30-19(2)29(3)27-24(30)14-9-17-28-27)21-12-7-8-13-22(21)31(23)20-10-5-4-6-11-20;1-16-15-24-23-21(22(16)26-14-13-25(3)17(26)2)19-11-7-8-12-20(19)27(23)18-9-5-4-6-10-18;1-16-11-12-20-21(22(16)26-15-14-25(3)17(26)2)19-10-7-13-24-23(19)27(20)18-8-5-4-6-9-18;/h5-18,21H,1-4H3;2*4-18,20H,1-3H3;4-17,19H,1-3H3;2*4-15,17H,1-3H3;1H4/t21-;2*20-;19-;2*17-;/m000000./s1
• InChIKey: JQNKBJKGHKQIMU-VVIMYCINSA-N
• XLogP: 38.56
• TPSA: 107.13 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2354.09
LogP ≤ 5	38.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-(3-methylphenyl)carbazole;3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-phenylcarbazole;4-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-3-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-3-methyl-9-phenylpyrido[2,3-b]indole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-6-methyl-9-phenylpyrido[2,3-b]indole;methane?

The IUPAC name of 4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-(3-methylphenyl)carbazole;3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-phenylcarbazole;4-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-3-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-3-methyl-9-phenylpyrido[2,3-b]indole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-6-methyl-9-phenylpyrido[2,3-b]indole;methane (CID 158994129) is 4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-(3-methylphenyl)carbazole;3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-phenylcarbazole;4-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-3-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-3-methyl-9-phenylpyrido[2,3-b]indole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-6-methyl-9-phenylpyrido[2,3-b]indole;methane.

What is the SMILES notation for 4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-(3-methylphenyl)carbazole;3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-phenylcarbazole;4-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-3-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-3-methyl-9-phenylpyrido[2,3-b]indole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-6-methyl-9-phenylpyrido[2,3-b]indole;methane?

The canonical SMILES for 4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-(3-methylphenyl)carbazole;3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-phenylcarbazole;4-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-3-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-3-methyl-9-phenylpyrido[2,3-b]indole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-6-methyl-9-phenylpyrido[2,3-b]indole;methane is C.Cc1cc2c(cc1N1c3ccccc3N(C)[C@@H]1C)c1ccccc1n2-c1ccccc1.Cc1ccc2c(c1N1C=CN(C)[C@@H]1C)c1cccnc1n2-c1ccccc1.Cc1ccc2c(c1N1c3ccccc3N(C)[C@@H]1C)c1ccccc1n2-c1ccccc1.Cc1ccc2c(c1N1c3cccnc3N(C)[C@@H]1C)c1ccccc1n2-c1ccccc1.Cc1cccc(-n2c3ccccc3c3c(N4c5ccccc5N(C)[C@@H]4C)c(C)ccc32)c1.Cc1cnc2c(c1N1C=CN(C)[C@@H]1C)c1ccccc1n2-c1ccccc1.

What is the InChIKey of 4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-(3-methylphenyl)carbazole;3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-phenylcarbazole;4-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-3-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-3-methyl-9-phenylpyrido[2,3-b]indole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-6-methyl-9-phenylpyrido[2,3-b]indole;methane?

The InChIKey is JQNKBJKGHKQIMU-VVIMYCINSA-N. The full InChI is InChI=1S/C29H27N3.2C28H25N3.C27H24N4.2C23H22N4.CH4/c1-19-10-9-11-22(18-19)32-24-13-6-5-12-23(24)28-27(32)17-16-20(2)29(28)31-21(3)30(4)25-14-7-8-15-26(25)31;1-19-17-28-23(18-27(19)30-20(2)29(3)25-15-9-10-16-26(25)30)22-13-7-8-14-24(22)31(28)21-11-5-4-6-12-21;1-19-17-18-26-27(28(19)30-20(2)29(3)24-15-9-10-16-25(24)30)22-13-7-8-14-23(22)31(26)21-11-5-4-6-12-21;1-18-15-16-23-25(26(18)30-19(2)29(3)27-24(30)14-9-17-28-27)21-12-7-8-13-22(21)31(23)20-10-5-4-6-11-20;1-16-15-24-23-21(22(16)26-14-13-25(3)17(26)2)19-11-7-8-12-20(19)27(23)18-9-5-4-6-10-18;1-16-11-12-20-21(22(16)26-15-14-25(3)17(26)2)19-10-7-13-24-23(19)27(20)18-8-5-4-6-9-18;/h5-18,21H,1-4H3;2*4-18,20H,1-3H3;4-17,19H,1-3H3;2*4-15,17H,1-3H3;1H4/t21-;2*20-;19-;2*17-;/m000000./s1.

What are the key properties of 4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-(3-methylphenyl)carbazole;3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-phenylcarbazole;4-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-3-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-3-methyl-9-phenylpyrido[2,3-b]indole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-6-methyl-9-phenylpyrido[2,3-b]indole;methane?

4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-(3-methylphenyl)carbazole;3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-phenylcarbazole;4-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-3-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-3-methyl-9-phenylpyrido[2,3-b]indole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-6-methyl-9-phenylpyrido[2,3-b]indole;methane has a molecular weight of 2354.09 g/mol, XLogP of 38.56, 12 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-(3-methylphenyl)carbazole;3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-3-methyl-9-phenylcarbazole;4-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-3-methyl-9-phenylcarbazole;4-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-3-methyl-9-phenylpyrido[2,3-b]indole;5-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-6-methyl-9-phenylpyrido[2,3-b]indole;methane is sourced from PubChem (CID 158994129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).