2-(3-bromophenyl)-1-methylbenzimidazole;2-(3,4-dimethoxyphenyl)-1-methylbenzimidazole;1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazole;bis(N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine)

C94H88BrFN16O2S2 — CID 162240153

About 2-(3-bromophenyl)-1-methylbenzimidazole;2-(3,4-dimethoxyphenyl)-1-methylbenzimidazole;1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazole;bis(N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine)

2-(3-bromophenyl)-1-methylbenzimidazole;2-(3,4-dimethoxyphenyl)-1-methylbenzimidazole;1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazole;bis(N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine) (PubChem CID 162240153) has the molecular formula C94H88BrFN16O2S2 and a molecular weight of 1636.88 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-methylbenzimidazole;2-(3,4-dimethoxyphenyl)-1-methylbenzimidazole;1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazole;bis(N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine).

Molecular Properties

• Compound Name: 2-(3-bromophenyl)-1-methylbenzimidazole;2-(3,4-dimethoxyphenyl)-1-methylbenzimidazole;1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazole;bis(N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine)
• PubChem CID: 162240153
• Molecular Formula: C94H88BrFN16O2S2
• Molecular Weight: 1636.88 g/mol
• Exact Mass: 1634.59
• IUPAC Name: 2-(3-bromophenyl)-1-methylbenzimidazole;2-(3,4-dimethoxyphenyl)-1-methylbenzimidazole;1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazole;bis(N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine)
• SMILES: CCCn1c(NCc2cn(-c3ccccc3)nc2-c2cccs2)nc2ccccc21.CCCn1c(NCc2cn(-c3ccccc3)nc2-c2cccs2)nc2ccccc21.COc1ccc(-c2nc3ccccc3n2C)cc1OC.Cc1cc2ncn(Cc3ccccc3F)c2cc1C.Cn1c(-c2cccc(Br)c2)nc2ccccc21
• InChI: InChI=1S/2C24H23N5S.C16H15FN2.C16H16N2O2.C14H11BrN2/c2*1-2-14-28-21-12-7-6-11-20(21)26-24(28)25-16-18-17-29(19-9-4-3-5-10-19)27-23(18)22-13-8-15-30-22;1-11-7-15-16(8-12(11)2)19(10-18-15)9-13-5-3-4-6-14(13)17;1-18-13-7-5-4-6-12(13)17-16(18)11-8-9-14(19-2)15(10-11)20-3;1-17-13-8-3-2-7-12(13)16-14(17)10-5-4-6-11(15)9-10/h2*3-13,15,17H,2,14,16H2,1H3,(H,25,26);3-8,10H,9H2,1-2H3;4-10H,1-3H3;2-9H,1H3
• InChIKey: ZWPAOCPLOXZJHF-UHFFFAOYSA-N
• XLogP: 23.05
• TPSA: 167.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1636.88
LogP ≤ 5	23.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-methylbenzimidazole;2-(3,4-dimethoxyphenyl)-1-methylbenzimidazole;1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazole;bis(N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine)?

The IUPAC name of 2-(3-bromophenyl)-1-methylbenzimidazole;2-(3,4-dimethoxyphenyl)-1-methylbenzimidazole;1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazole;bis(N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine) (CID 162240153) is 2-(3-bromophenyl)-1-methylbenzimidazole;2-(3,4-dimethoxyphenyl)-1-methylbenzimidazole;1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazole;bis(N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine).

What is the SMILES notation for 2-(3-bromophenyl)-1-methylbenzimidazole;2-(3,4-dimethoxyphenyl)-1-methylbenzimidazole;1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazole;bis(N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine)?

The canonical SMILES for 2-(3-bromophenyl)-1-methylbenzimidazole;2-(3,4-dimethoxyphenyl)-1-methylbenzimidazole;1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazole;bis(N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine) is CCCn1c(NCc2cn(-c3ccccc3)nc2-c2cccs2)nc2ccccc21.CCCn1c(NCc2cn(-c3ccccc3)nc2-c2cccs2)nc2ccccc21.COc1ccc(-c2nc3ccccc3n2C)cc1OC.Cc1cc2ncn(Cc3ccccc3F)c2cc1C.Cn1c(-c2cccc(Br)c2)nc2ccccc21.

What is the InChIKey of 2-(3-bromophenyl)-1-methylbenzimidazole;2-(3,4-dimethoxyphenyl)-1-methylbenzimidazole;1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazole;bis(N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine)?

The InChIKey is ZWPAOCPLOXZJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H23N5S.C16H15FN2.C16H16N2O2.C14H11BrN2/c2*1-2-14-28-21-12-7-6-11-20(21)26-24(28)25-16-18-17-29(19-9-4-3-5-10-19)27-23(18)22-13-8-15-30-22;1-11-7-15-16(8-12(11)2)19(10-18-15)9-13-5-3-4-6-14(13)17;1-18-13-7-5-4-6-12(13)17-16(18)11-8-9-14(19-2)15(10-11)20-3;1-17-13-8-3-2-7-12(13)16-14(17)10-5-4-6-11(15)9-10/h2*3-13,15,17H,2,14,16H2,1H3,(H,25,26);3-8,10H,9H2,1-2H3;4-10H,1-3H3;2-9H,1H3.

What are the key properties of 2-(3-bromophenyl)-1-methylbenzimidazole;2-(3,4-dimethoxyphenyl)-1-methylbenzimidazole;1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazole;bis(N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine)?

2-(3-bromophenyl)-1-methylbenzimidazole;2-(3,4-dimethoxyphenyl)-1-methylbenzimidazole;1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazole;bis(N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine) has a molecular weight of 1636.88 g/mol, XLogP of 23.05, 20 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromophenyl)-1-methylbenzimidazole;2-(3,4-dimethoxyphenyl)-1-methylbenzimidazole;1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazole;bis(N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine) is sourced from PubChem (CID 162240153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).