N-(cyclopropylmethyl)-4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-amine;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-ethoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C126H126N24O11 — CID 158583442

About N-(cyclopropylmethyl)-4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-amine;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-ethoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

N-(cyclopropylmethyl)-4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-amine;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-ethoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158583442) has the molecular formula C126H126N24O11 and a molecular weight of 2152.55 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-amine;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-ethoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-amine;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-ethoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 158583442
• Molecular Formula: C126H126N24O11
• Molecular Weight: 2152.55 g/mol
• Exact Mass: 2151.00
• IUPAC Name: N-(cyclopropylmethyl)-4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-amine;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-ethoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: CCOc1nc2c(-c3c(C)ccc4ccccc34)cc(-c3c(C)noc3C)cc2[nH]1.COc1nc2c(-c3c(C)ccc4ccccc34)cc(-c3c(C)noc3C)cc2[nH]1.COc1nc2c(-c3c(C)cnn3C)cc(-c3c(C)noc3C)cc2[nH]1.COc1nc2c(C3=C(C)CN=C3C)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(-c3c(C)c[nH]c3C)cc(-c3c(C)noc3C)cc2[nH]1.Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc(NCC3CC3)[nH]c2c1
• InChI: InChI=1S/C25H23N3O2.C24H21N3O2.C21H23N5O2.C19H20N4O2.C19H20N4O.C18H19N5O2/c1-5-29-25-26-21-13-18(23-15(3)28-30-16(23)4)12-20(24(21)27-25)22-14(2)10-11-17-8-6-7-9-19(17)22;1-13-9-10-16-7-5-6-8-18(16)21(13)19-11-17(22-14(2)27-29-15(22)3)12-20-23(19)26-24(25-20)28-4;1-10-18(12(3)27-25-10)15-7-16(19-11(2)26-28-13(19)4)20-17(8-15)23-21(24-20)22-9-14-5-6-14;1-9-8-20-10(2)16(9)14-6-13(17-11(3)23-25-12(17)4)7-15-18(14)22-19(21-15)24-5;1-9-8-20-10(2)17(9)15-6-14(18-11(3)23-24-12(18)4)7-16-19(15)22-13(5)21-16;1-9-8-19-23(4)17(9)13-6-12(15-10(2)22-25-11(15)3)7-14-16(13)21-18(20-14)24-5/h6-13H,5H2,1-4H3,(H,26,27);5-12H,1-4H3,(H,25,26);7-8,14H,5-6,9H2,1-4H3,(H2,22,23,24);6-7H,8H2,1-5H3,(H,21,22);6-8,20H,1-5H3,(H,21,22);6-8H,1-5H3,(H,20,21)
• InChIKey: HTNMKGPGMFGHFD-UHFFFAOYSA-N
• XLogP: 29.66
• TPSA: 449.21 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2152.55
LogP ≤ 5	29.66
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

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

The IUPAC name of N-(cyclopropylmethyl)-4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-amine;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-ethoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 158583442) is N-(cyclopropylmethyl)-4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-amine;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-ethoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

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

The canonical SMILES for N-(cyclopropylmethyl)-4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-amine;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-ethoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is CCOc1nc2c(-c3c(C)ccc4ccccc34)cc(-c3c(C)noc3C)cc2[nH]1.COc1nc2c(-c3c(C)ccc4ccccc34)cc(-c3c(C)noc3C)cc2[nH]1.COc1nc2c(-c3c(C)cnn3C)cc(-c3c(C)noc3C)cc2[nH]1.COc1nc2c(C3=C(C)CN=C3C)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(-c3c(C)c[nH]c3C)cc(-c3c(C)noc3C)cc2[nH]1.Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc(NCC3CC3)[nH]c2c1.

What is the InChIKey of N-(cyclopropylmethyl)-4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-amine;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-ethoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is HTNMKGPGMFGHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2.C24H21N3O2.C21H23N5O2.C19H20N4O2.C19H20N4O.C18H19N5O2/c1-5-29-25-26-21-13-18(23-15(3)28-30-16(23)4)12-20(24(21)27-25)22-14(2)10-11-17-8-6-7-9-19(17)22;1-13-9-10-16-7-5-6-8-18(16)21(13)19-11-17(22-14(2)27-29-15(22)3)12-20-23(19)26-24(25-20)28-4;1-10-18(12(3)27-25-10)15-7-16(19-11(2)26-28-13(19)4)20-17(8-15)23-21(24-20)22-9-14-5-6-14;1-9-8-20-10(2)16(9)14-6-13(17-11(3)23-25-12(17)4)7-15-18(14)22-19(21-15)24-5;1-9-8-20-10(2)17(9)15-6-14(18-11(3)23-24-12(18)4)7-16-19(15)22-13(5)21-16;1-9-8-19-23(4)17(9)13-6-12(15-10(2)22-25-11(15)3)7-14-16(13)21-18(20-14)24-5/h6-13H,5H2,1-4H3,(H,26,27);5-12H,1-4H3,(H,25,26);7-8,14H,5-6,9H2,1-4H3,(H2,22,23,24);6-7H,8H2,1-5H3,(H,21,22);6-8,20H,1-5H3,(H,21,22);6-8H,1-5H3,(H,20,21).

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

N-(cyclopropylmethyl)-4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-amine;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-ethoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 2152.55 g/mol, XLogP of 29.66, 20 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-amine;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-2H-pyrrol-4-yl)-2-methoxy-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(2,4-dimethyl-1H-pyrrol-3-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-ethoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-methoxy-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158583442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).