4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;N-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;bis(4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole);N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,4-dimethyl-1H-pyrrol-3-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide

C108H112N20O7S — CID 157360266

About 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;N-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;bis(4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole);N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,4-dimethyl-1H-pyrrol-3-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide

4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;N-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;bis(4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole);N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,4-dimethyl-1H-pyrrol-3-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide (PubChem CID 157360266) has the molecular formula C108H112N20O7S and a molecular weight of 1834.28 g/mol. Its IUPAC name is 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;N-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;bis(4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole);N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,4-dimethyl-1H-pyrrol-3-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;N-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;bis(4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole);N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,4-dimethyl-1H-pyrrol-3-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide
• PubChem CID: 157360266
• Molecular Formula: C108H112N20O7S
• Molecular Weight: 1834.28 g/mol
• Exact Mass: 1832.87
• IUPAC Name: 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;N-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;bis(4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole);N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,4-dimethyl-1H-pyrrol-3-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide
• SMILES: CC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.CC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(NCC3CC3)nc12.Cc1c[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(NS(=O)(=O)C3CC3)nc12.Cc1ccccc1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1ccccc1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12
• InChI: InChI=1S/C22H25N5O.2C22H21N3O.C21H23N5O3S.C21H22N4O/c1-11-9-23-12(2)19(11)17-7-16(20-13(3)27-28-14(20)4)8-18-21(17)26-22(25-18)24-10-15-5-6-15;2*1-12-6-4-5-7-17(12)18-10-16(20-13(2)25-26-14(20)3)11-19-21(18)24-22(23-19)15-8-9-15;1-10-9-22-11(2)18(10)16-7-14(19-12(3)25-29-13(19)4)8-17-20(16)24-21(23-17)26-30(27,28)15-5-6-15;1-10-9-22-11(2)18(10)16-7-15(19-12(3)25-26-13(19)4)8-17-20(16)24-21(23-17)14-5-6-14/h7-8,15H,5-6,9-10H2,1-4H3,(H2,24,25,26);2*4-7,10-11,15H,8-9H2,1-3H3,(H,23,24);7-9,15,22H,5-6H2,1-4H3,(H2,23,24,26);7-8,14H,5-6,9H2,1-4H3,(H,23,24)
• InChIKey: BIOCFDSZUOXOSO-UHFFFAOYSA-N
• XLogP: 25.59
• TPSA: 372.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1834.28
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;N-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;bis(4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole);N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,4-dimethyl-1H-pyrrol-3-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide?

The IUPAC name of 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;N-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;bis(4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole);N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,4-dimethyl-1H-pyrrol-3-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide (CID 157360266) is 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;N-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;bis(4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole);N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,4-dimethyl-1H-pyrrol-3-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide.

What is the SMILES notation for 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;N-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;bis(4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole);N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,4-dimethyl-1H-pyrrol-3-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide?

The canonical SMILES for 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;N-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;bis(4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole);N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,4-dimethyl-1H-pyrrol-3-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide is CC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.CC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(NCC3CC3)nc12.Cc1c[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(NS(=O)(=O)C3CC3)nc12.Cc1ccccc1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1ccccc1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.

What is the InChIKey of 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;N-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;bis(4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole);N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,4-dimethyl-1H-pyrrol-3-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide?

The InChIKey is BIOCFDSZUOXOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O.2C22H21N3O.C21H23N5O3S.C21H22N4O/c1-11-9-23-12(2)19(11)17-7-16(20-13(3)27-28-14(20)4)8-18-21(17)26-22(25-18)24-10-15-5-6-15;2*1-12-6-4-5-7-17(12)18-10-16(20-13(2)25-26-14(20)3)11-19-21(18)24-22(23-19)15-8-9-15;1-10-9-22-11(2)18(10)16-7-14(19-12(3)25-29-13(19)4)8-17-20(16)24-21(23-17)26-30(27,28)15-5-6-15;1-10-9-22-11(2)18(10)16-7-15(19-12(3)25-26-13(19)4)8-17-20(16)24-21(23-17)14-5-6-14/h7-8,15H,5-6,9-10H2,1-4H3,(H2,24,25,26);2*4-7,10-11,15H,8-9H2,1-3H3,(H,23,24);7-9,15,22H,5-6H2,1-4H3,(H2,23,24,26);7-8,14H,5-6,9H2,1-4H3,(H,23,24).

What are the key properties of 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;N-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;bis(4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole);N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,4-dimethyl-1H-pyrrol-3-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide?

4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;N-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;bis(4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole);N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,4-dimethyl-1H-pyrrol-3-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide has a molecular weight of 1834.28 g/mol, XLogP of 25.59, 19 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-cyclopropyl-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;N-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;bis(4-[2-cyclopropyl-7-(2-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole);N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2,4-dimethyl-1H-pyrrol-3-yl)-1H-benzimidazol-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 157360266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).