5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-[[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylbenzimidazol-2-yl]cyclopropyl]methyl]-3,4-dihydroquinolin-2-one

C46H45N9O3 — CID 134571798

About 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-[[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylbenzimidazol-2-yl]cyclopropyl]methyl]-3,4-dihydroquinolin-2-one

5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-[[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylbenzimidazol-2-yl]cyclopropyl]methyl]-3,4-dihydroquinolin-2-one (PubChem CID 134571798) has the molecular formula C46H45N9O3 and a molecular weight of 771.93 g/mol. Its IUPAC name is 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-[[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylbenzimidazol-2-yl]cyclopropyl]methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-[[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylbenzimidazol-2-yl]cyclopropyl]methyl]-3,4-dihydroquinolin-2-one
• PubChem CID: 134571798
• Molecular Formula: C46H45N9O3
• Molecular Weight: 771.93 g/mol
• Exact Mass: 771.36
• IUPAC Name: 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-[[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylbenzimidazol-2-yl]cyclopropyl]methyl]-3,4-dihydroquinolin-2-one
• SMILES: Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2nc(C3CC3CN3C(=O)CCc4c(-c5cc(-c6c(C)noc6C)cc6[nH]c(C7CC7)nc56)cccc43)n(C)c12
• InChI: InChI=1S/C46H45N9O3/c1-21-40(22(2)51-50-21)35-16-29(42-24(4)53-58-26(42)6)19-37-44(35)54(7)46(48-37)33-17-30(33)20-55-38-10-8-9-31(32(38)13-14-39(55)56)34-15-28(41-23(3)52-57-25(41)5)18-36-43(34)49-45(47-36)27-11-12-27/h8-10,15-16,18-19,27,30,33H,11-14,17,20H2,1-7H3,(H,47,49)(H,50,51)
• InChIKey: HVKOYWXOAYVBQK-UHFFFAOYSA-N
• XLogP: 9.63
• TPSA: 147.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.93
LogP ≤ 5	9.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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]-1-[[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylbenzimidazol-2-yl]cyclopropyl]methyl]-3,4-dihydroquinolin-2-one?

The IUPAC name of 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-[[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylbenzimidazol-2-yl]cyclopropyl]methyl]-3,4-dihydroquinolin-2-one (CID 134571798) is 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-[[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylbenzimidazol-2-yl]cyclopropyl]methyl]-3,4-dihydroquinolin-2-one.

What is the SMILES notation for 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-[[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylbenzimidazol-2-yl]cyclopropyl]methyl]-3,4-dihydroquinolin-2-one?

The canonical SMILES for 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-[[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylbenzimidazol-2-yl]cyclopropyl]methyl]-3,4-dihydroquinolin-2-one is Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2nc(C3CC3CN3C(=O)CCc4c(-c5cc(-c6c(C)noc6C)cc6[nH]c(C7CC7)nc56)cccc43)n(C)c12.

What is the InChIKey of 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-[[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylbenzimidazol-2-yl]cyclopropyl]methyl]-3,4-dihydroquinolin-2-one?

The InChIKey is HVKOYWXOAYVBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H45N9O3/c1-21-40(22(2)51-50-21)35-16-29(42-24(4)53-58-26(42)6)19-37-44(35)54(7)46(48-37)33-17-30(33)20-55-38-10-8-9-31(32(38)13-14-39(55)56)34-15-28(41-23(3)52-57-25(41)5)18-36-43(34)49-45(47-36)27-11-12-27/h8-10,15-16,18-19,27,30,33H,11-14,17,20H2,1-7H3,(H,47,49)(H,50,51).

What are the key properties of 5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-[[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylbenzimidazol-2-yl]cyclopropyl]methyl]-3,4-dihydroquinolin-2-one?

5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-[[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylbenzimidazol-2-yl]cyclopropyl]methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 771.93 g/mol, XLogP of 9.63, 8 rotatable bonds, 2 hydrogen bond donors, and 9 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]-1-[[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylbenzimidazol-2-yl]cyclopropyl]methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 134571798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).