4-(2-cyclopropyl-7-isoquinolin-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-isoquinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole

C98H82N16O4 — CID 158902356

About 4-(2-cyclopropyl-7-isoquinolin-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-isoquinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole

4-(2-cyclopropyl-7-isoquinolin-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-isoquinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 158902356) has the molecular formula C98H82N16O4 and a molecular weight of 1547.84 g/mol. Its IUPAC name is 4-(2-cyclopropyl-7-isoquinolin-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-isoquinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-(2-cyclopropyl-7-isoquinolin-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-isoquinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
• PubChem CID: 158902356
• Molecular Formula: C98H82N16O4
• Molecular Weight: 1547.84 g/mol
• Exact Mass: 1546.67
• IUPAC Name: 4-(2-cyclopropyl-7-isoquinolin-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-isoquinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
• SMILES: Cc1noc(C)c1-c1cc(-c2cccc3cnccc23)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cccc3ncccc23)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cccnc2-c2ccccc2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cncc3ccccc23)c2nc(C3CC3)[nH]c2c1
• InChI: InChI=1S/C26H22N4O.3C24H20N4O/c1-15-23(16(2)31-30-15)19-13-21(25-22(14-19)28-26(29-25)18-10-11-18)20-9-6-12-27-24(20)17-7-4-3-5-8-17;1-13-22(14(2)29-28-13)16-11-19(17-5-3-7-20-18(17)6-4-10-25-20)23-21(12-16)26-24(27-23)15-8-9-15;1-13-22(14(2)29-28-13)17-10-20(19-5-3-4-16-12-25-9-8-18(16)19)23-21(11-17)26-24(27-23)15-6-7-15;1-13-22(14(2)29-28-13)17-9-19(20-12-25-11-16-5-3-4-6-18(16)20)23-21(10-17)26-24(27-23)15-7-8-15/h3-9,12-14,18H,10-11H2,1-2H3,(H,28,29);3-7,10-12,15H,8-9H2,1-2H3,(H,26,27);3-5,8-12,15H,6-7H2,1-2H3,(H,26,27);3-6,9-12,15H,7-8H2,1-2H3,(H,26,27)
• InChIKey: JFPKBILKHZWMKT-UHFFFAOYSA-N
• XLogP: 24.22
• TPSA: 270.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1547.84
LogP ≤ 5	24.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-7-isoquinolin-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-isoquinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 4-(2-cyclopropyl-7-isoquinolin-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-isoquinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole (CID 158902356) is 4-(2-cyclopropyl-7-isoquinolin-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-isoquinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 4-(2-cyclopropyl-7-isoquinolin-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-isoquinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 4-(2-cyclopropyl-7-isoquinolin-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-isoquinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cc(-c2cccc3cnccc23)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cccc3ncccc23)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cccnc2-c2ccccc2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cncc3ccccc23)c2nc(C3CC3)[nH]c2c1.

What is the InChIKey of 4-(2-cyclopropyl-7-isoquinolin-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-isoquinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole?

The InChIKey is JFPKBILKHZWMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O.3C24H20N4O/c1-15-23(16(2)31-30-15)19-13-21(25-22(14-19)28-26(29-25)18-10-11-18)20-9-6-12-27-24(20)17-7-4-3-5-8-17;1-13-22(14(2)29-28-13)16-11-19(17-5-3-7-20-18(17)6-4-10-25-20)23-21(12-16)26-24(27-23)15-8-9-15;1-13-22(14(2)29-28-13)17-10-20(19-5-3-4-16-12-25-9-8-18(16)19)23-21(11-17)26-24(27-23)15-6-7-15;1-13-22(14(2)29-28-13)17-9-19(20-12-25-11-16-5-3-4-6-18(16)20)23-21(10-17)26-24(27-23)15-7-8-15/h3-9,12-14,18H,10-11H2,1-2H3,(H,28,29);3-7,10-12,15H,8-9H2,1-2H3,(H,26,27);3-5,8-12,15H,6-7H2,1-2H3,(H,26,27);3-6,9-12,15H,7-8H2,1-2H3,(H,26,27).

What are the key properties of 4-(2-cyclopropyl-7-isoquinolin-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-isoquinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole?

4-(2-cyclopropyl-7-isoquinolin-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-isoquinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 1547.84 g/mol, XLogP of 24.22, 13 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-cyclopropyl-7-isoquinolin-4-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-isoquinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole;4-[2-cyclopropyl-7-(2-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-(2-cyclopropyl-7-quinolin-5-yl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158902356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).