5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4,6-dimethyl-1H-pyrimidin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one

C69H63N13O6 — CID 158763108

About 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4,6-dimethyl-1H-pyrimidin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one

5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4,6-dimethyl-1H-pyrimidin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one (PubChem CID 158763108) has the molecular formula C69H63N13O6 and a molecular weight of 1170.35 g/mol. Its IUPAC name is 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4,6-dimethyl-1H-pyrimidin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4,6-dimethyl-1H-pyrimidin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one
• PubChem CID: 158763108
• Molecular Formula: C69H63N13O6
• Molecular Weight: 1170.35 g/mol
• Exact Mass: 1169.50
• IUPAC Name: 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4,6-dimethyl-1H-pyrimidin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one
• SMILES: Cc1nc(=O)[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1noc(C)c1-c1cc(-c2cccc3[nH]c(=O)ccc23)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cccc3c2CCNC3=O)c2nc(C3CC3)[nH]c2c1
• InChI: InChI=1S/C24H20N4O2.C24H22N4O2.C21H21N5O2/c1-12-22(13(2)30-28-12)15-10-18(23-20(11-15)26-24(27-23)14-6-7-14)16-4-3-5-19-17(16)8-9-21(29)25-19;1-12-21(13(2)30-28-12)15-10-19(22-20(11-15)26-23(27-22)14-6-7-14)16-4-3-5-18-17(16)8-9-25-24(18)29;1-9-17(10(2)23-21(27)22-9)15-7-14(18-11(3)26-28-12(18)4)8-16-19(15)25-20(24-16)13-5-6-13/h3-5,8-11,14H,6-7H2,1-2H3,(H,25,29)(H,26,27);3-5,10-11,14H,6-9H2,1-2H3,(H,25,29)(H,26,27);7-8,13H,5-6H2,1-4H3,(H,24,25)(H,22,23,27)
• InChIKey: IOXNGOORMTXDTK-UHFFFAOYSA-N
• XLogP: 13.96
• TPSA: 271.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1170.35
LogP ≤ 5	13.96
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4,6-dimethyl-1H-pyrimidin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one?

The IUPAC name of 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4,6-dimethyl-1H-pyrimidin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one (CID 158763108) is 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4,6-dimethyl-1H-pyrimidin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one.

What is the SMILES notation for 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4,6-dimethyl-1H-pyrimidin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one?

The canonical SMILES for 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4,6-dimethyl-1H-pyrimidin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one is Cc1nc(=O)[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1noc(C)c1-c1cc(-c2cccc3[nH]c(=O)ccc23)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(-c2cccc3c2CCNC3=O)c2nc(C3CC3)[nH]c2c1.

What is the InChIKey of 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4,6-dimethyl-1H-pyrimidin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one?

The InChIKey is IOXNGOORMTXDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2.C24H22N4O2.C21H21N5O2/c1-12-22(13(2)30-28-12)15-10-18(23-20(11-15)26-24(27-23)14-6-7-14)16-4-3-5-19-17(16)8-9-21(29)25-19;1-12-21(13(2)30-28-12)15-10-19(22-20(11-15)26-23(27-22)14-6-7-14)16-4-3-5-18-17(16)8-9-25-24(18)29;1-9-17(10(2)23-21(27)22-9)15-7-14(18-11(3)26-28-12(18)4)8-16-19(15)25-20(24-16)13-5-6-13/h3-5,8-11,14H,6-7H2,1-2H3,(H,25,29)(H,26,27);3-5,10-11,14H,6-9H2,1-2H3,(H,25,29)(H,26,27);7-8,13H,5-6H2,1-4H3,(H,24,25)(H,22,23,27).

What are the key properties of 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4,6-dimethyl-1H-pyrimidin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one?

5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4,6-dimethyl-1H-pyrimidin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one has a molecular weight of 1170.35 g/mol, XLogP of 13.96, 9 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4,6-dimethyl-1H-pyrimidin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 158763108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).