4-[2-(cyclopropylmethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[7-(2,6-dimethylphenyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C109H108N20O7 — CID 158529604

About 4-[2-(cyclopropylmethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[7-(2,6-dimethylphenyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[2-(cyclopropylmethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[7-(2,6-dimethylphenyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158529604) has the molecular formula C109H108N20O7 and a molecular weight of 1810.20 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[7-(2,6-dimethylphenyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[2-(cyclopropylmethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[7-(2,6-dimethylphenyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 158529604
• Molecular Formula: C109H108N20O7
• Molecular Weight: 1810.20 g/mol
• Exact Mass: 1808.87
• IUPAC Name: 4-[2-(cyclopropylmethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[7-(2,6-dimethylphenyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: CC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(CC3CC3)nc12.CC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(N)nc12.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C(O)CCO)nc12.Cc1nc2c(-c3c(C)ccc4ncccc34)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(-c3c(C)cccc3C)cc(-c3c(C)noc3C)cc2[nH]1
• InChI: InChI=1S/C25H24N4O3.C23H20N4O.C22H24N4O.C21H21N3O.C18H19N5O/c1-13-6-7-19-17(5-4-9-26-19)22(13)18-11-16(23-14(2)29-32-15(23)3)12-20-24(18)28-25(27-20)21(31)8-10-30;1-12-7-8-19-17(6-5-9-24-19)21(12)18-10-16(22-13(2)27-28-14(22)3)11-20-23(18)26-15(4)25-20;1-11-10-23-12(2)20(11)17-8-16(21-13(3)26-27-14(21)4)9-18-22(17)25-19(24-18)7-15-5-6-15;1-11-7-6-8-12(2)19(11)17-9-16(20-13(3)24-25-14(20)4)10-18-21(17)23-15(5)22-18;1-8-7-20-9(2)15(8)13-5-12(16-10(3)23-24-11(16)4)6-14-17(13)22-18(19)21-14/h4-7,9,11-12,21,30-31H,8,10H2,1-3H3,(H,27,28);5-11H,1-4H3,(H,25,26);8-9,15H,5-7,10H2,1-4H3,(H,24,25);6-10H,1-5H3,(H,22,23);5-6H,7H2,1-4H3,(H3,19,21,22)
• InChIKey: HNEYBFZURONTNL-UHFFFAOYSA-N
• XLogP: 24.57
• TPSA: 390.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1810.20
LogP ≤ 5	24.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[7-(2,6-dimethylphenyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 4-[2-(cyclopropylmethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[7-(2,6-dimethylphenyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 158529604) is 4-[2-(cyclopropylmethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[7-(2,6-dimethylphenyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 4-[2-(cyclopropylmethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[7-(2,6-dimethylphenyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 4-[2-(cyclopropylmethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[7-(2,6-dimethylphenyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is CC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(CC3CC3)nc12.CC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(N)nc12.Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C(O)CCO)nc12.Cc1nc2c(-c3c(C)ccc4ncccc34)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(-c3c(C)cccc3C)cc(-c3c(C)noc3C)cc2[nH]1.

What is the InChIKey of 4-[2-(cyclopropylmethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[7-(2,6-dimethylphenyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is HNEYBFZURONTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3.C23H20N4O.C22H24N4O.C21H21N3O.C18H19N5O/c1-13-6-7-19-17(5-4-9-26-19)22(13)18-11-16(23-14(2)29-32-15(23)3)12-20-24(18)28-25(27-20)21(31)8-10-30;1-12-7-8-19-17(6-5-9-24-19)21(12)18-10-16(22-13(2)27-28-14(22)3)11-20-23(18)26-15(4)25-20;1-11-10-23-12(2)20(11)17-8-16(21-13(3)26-27-14(21)4)9-18-22(17)25-19(24-18)7-15-5-6-15;1-11-7-6-8-12(2)19(11)17-9-16(20-13(3)24-25-14(20)4)10-18-21(17)23-15(5)22-18;1-8-7-20-9(2)15(8)13-5-12(16-10(3)23-24-11(16)4)6-14-17(13)22-18(19)21-14/h4-7,9,11-12,21,30-31H,8,10H2,1-3H3,(H,27,28);5-11H,1-4H3,(H,25,26);8-9,15H,5-7,10H2,1-4H3,(H,24,25);6-10H,1-5H3,(H,22,23);5-6H,7H2,1-4H3,(H3,19,21,22).

What are the key properties of 4-[2-(cyclopropylmethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[7-(2,6-dimethylphenyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

4-[2-(cyclopropylmethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[7-(2,6-dimethylphenyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1810.20 g/mol, XLogP of 24.57, 15 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(cyclopropylmethyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-amine;1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzimidazol-2-yl]propane-1,3-diol;4-[7-(2,6-dimethylphenyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158529604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).