4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C123H126N26O7S — CID 161126357

About 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 161126357) has the molecular formula C123H126N26O7S and a molecular weight of 2112.60 g/mol. Its IUPAC name is 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 161126357
• Molecular Formula: C123H126N26O7S
• Molecular Weight: 2112.60 g/mol
• Exact Mass: 2111.00
• IUPAC Name: 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: Cc1cc(C)n(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)n1.Cc1cc[nH]c(=O)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1ccn(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c1C.Cc1nc(C)c(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)s1.Cc1noc(C)c1-c1cc(-n2c(C)ccc2C)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-n2c(C)cnc2C)c2nc(C3CC3)[nH]c2c1
• InChI: InChI=1S/C21H20N4O2.2C21H22N4O.2C20H21N5O.C20H20N4OS/c1-10-6-7-22-21(26)17(10)15-8-14(18-11(2)25-27-12(18)3)9-16-19(15)24-20(23-16)13-4-5-13;1-11-7-8-25(13(11)3)18-10-16(19-12(2)24-26-14(19)4)9-17-20(18)23-21(22-17)15-5-6-15;1-11-5-6-12(2)25(11)18-10-16(19-13(3)24-26-14(19)4)9-17-20(18)23-21(22-17)15-7-8-15;1-10-9-21-13(4)25(10)17-8-15(18-11(2)24-26-12(18)3)7-16-19(17)23-20(22-16)14-5-6-14;1-10-7-11(2)25(23-10)17-9-15(18-12(3)24-26-13(18)4)8-16-19(17)22-20(21-16)14-5-6-14;1-9-17(11(3)25-24-9)14-7-15(19-10(2)21-12(4)26-19)18-16(8-14)22-20(23-18)13-5-6-13/h6-9,13H,4-5H2,1-3H3,(H,22,26)(H,23,24);7-10,15H,5-6H2,1-4H3,(H,22,23);5-6,9-10,15H,7-8H2,1-4H3,(H,22,23);7-9,14H,5-6H2,1-4H3,(H,22,23);7-9,14H,5-6H2,1-4H3,(H,21,22);7-8,13H,5-6H2,1-4H3,(H,22,23)
• InChIKey: ULPLPJBHTOVLRA-UHFFFAOYSA-N
• XLogP: 29.10
• TPSA: 419.51 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2112.60
LogP ≤ 5	29.10
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 161126357) is 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1cc(C)n(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)n1.Cc1cc[nH]c(=O)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1ccn(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)c1C.Cc1nc(C)c(-c2cc(-c3c(C)noc3C)cc3[nH]c(C4CC4)nc23)s1.Cc1noc(C)c1-c1cc(-n2c(C)ccc2C)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-n2c(C)cnc2C)c2nc(C3CC3)[nH]c2c1.

What is the InChIKey of 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is ULPLPJBHTOVLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2.2C21H22N4O.2C20H21N5O.C20H20N4OS/c1-10-6-7-22-21(26)17(10)15-8-14(18-11(2)25-27-12(18)3)9-16-19(15)24-20(23-16)13-4-5-13;1-11-7-8-25(13(11)3)18-10-16(19-12(2)24-26-14(19)4)9-17-20(18)23-21(22-17)15-5-6-15;1-11-5-6-12(2)25(11)18-10-16(19-13(3)24-26-14(19)4)9-17-20(18)23-21(22-17)15-7-8-15;1-10-9-21-13(4)25(10)17-8-15(18-11(2)24-26-12(18)3)7-16-19(17)23-20(22-16)14-5-6-14;1-10-7-11(2)25(23-10)17-9-15(18-12(3)24-26-13(18)4)8-16-19(17)22-20(21-16)14-5-6-14;1-9-17(11(3)25-24-9)14-7-15(19-10(2)21-12(4)26-19)18-16(8-14)22-20(23-18)13-5-6-13/h6-9,13H,4-5H2,1-3H3,(H,22,26)(H,23,24);7-10,15H,5-6H2,1-4H3,(H,22,23);5-6,9-10,15H,7-8H2,1-4H3,(H,22,23);7-9,14H,5-6H2,1-4H3,(H,22,23);7-9,14H,5-6H2,1-4H3,(H,21,22);7-8,13H,5-6H2,1-4H3,(H,22,23).

What are the key properties of 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 2112.60 g/mol, XLogP of 29.10, 18 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-cyclopropyl-7-(2,5-dimethylimidazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethylpyrazol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,3-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,5-dimethylpyrrol-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2,4-dimethyl-1,3-thiazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 161126357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).