(5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-1-[2-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-naphthalen-1-yl-5-oxopyrrolidin-2-yl]benzimidazol-1-yl]cyclohexyl]oxy-2,3-dihydro-1-benzofuran-5-yl]pyrrolidin-2-one

C62H62N8O7 — CID 134457789

About (5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-1-[2-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-naphthalen-1-yl-5-oxopyrrolidin-2-yl]benzimidazol-1-yl]cyclohexyl]oxy-2,3-dihydro-1-benzofuran-5-yl]pyrrolidin-2-one

(5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-1-[2-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-naphthalen-1-yl-5-oxopyrrolidin-2-yl]benzimidazol-1-yl]cyclohexyl]oxy-2,3-dihydro-1-benzofuran-5-yl]pyrrolidin-2-one (PubChem CID 134457789) has the molecular formula C62H62N8O7 and a molecular weight of 1031.23 g/mol. Its IUPAC name is (5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-1-[2-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-naphthalen-1-yl-5-oxopyrrolidin-2-yl]benzimidazol-1-yl]cyclohexyl]oxy-2,3-dihydro-1-benzofuran-5-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-1-[2-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-naphthalen-1-yl-5-oxopyrrolidin-2-yl]benzimidazol-1-yl]cyclohexyl]oxy-2,3-dihydro-1-benzofuran-5-yl]pyrrolidin-2-one
• PubChem CID: 134457789
• Molecular Formula: C62H62N8O7
• Molecular Weight: 1031.23 g/mol
• Exact Mass: 1030.47
• IUPAC Name: (5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-1-[2-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-naphthalen-1-yl-5-oxopyrrolidin-2-yl]benzimidazol-1-yl]cyclohexyl]oxy-2,3-dihydro-1-benzofuran-5-yl]pyrrolidin-2-one
• SMILES: Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCC(=O)N1c1ccc3c(c1)CC(OC1CCC(n4c([C@@H]5CCC(=O)N5c5cccc6ccccc56)nc5cc(-c6c(C)noc6C)ccc54)CC1)O3)n2C1CCC(O)CC1
• InChI: InChI=1S/C62H62N8O7/c1-34-59(36(3)76-65-34)39-12-23-51-48(31-39)63-61(68(51)42-14-19-45(71)20-15-42)53-25-28-56(72)67(53)44-18-27-55-41(30-44)33-58(75-55)74-46-21-16-43(17-22-46)69-52-24-13-40(60-35(2)66-77-37(60)4)32-49(52)64-62(69)54-26-29-57(73)70(54)50-11-7-9-38-8-5-6-10-47(38)50/h5-13,18,23-24,27,30-32,42-43,45-46,53-54,58,71H,14-17,19-22,25-26,28-29,33H2,1-4H3/t42?,43?,45?,46?,53-,54-,58?/m0/s1
• InChIKey: FADMZTQWDFLBPV-YETSFEHUSA-N
• XLogP: 12.76
• TPSA: 167.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1031.23
LogP ≤ 5	12.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-1-[2-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-naphthalen-1-yl-5-oxopyrrolidin-2-yl]benzimidazol-1-yl]cyclohexyl]oxy-2,3-dihydro-1-benzofuran-5-yl]pyrrolidin-2-one?

The IUPAC name of (5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-1-[2-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-naphthalen-1-yl-5-oxopyrrolidin-2-yl]benzimidazol-1-yl]cyclohexyl]oxy-2,3-dihydro-1-benzofuran-5-yl]pyrrolidin-2-one (CID 134457789) is (5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-1-[2-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-naphthalen-1-yl-5-oxopyrrolidin-2-yl]benzimidazol-1-yl]cyclohexyl]oxy-2,3-dihydro-1-benzofuran-5-yl]pyrrolidin-2-one.

What is the SMILES notation for (5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-1-[2-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-naphthalen-1-yl-5-oxopyrrolidin-2-yl]benzimidazol-1-yl]cyclohexyl]oxy-2,3-dihydro-1-benzofuran-5-yl]pyrrolidin-2-one?

The canonical SMILES for (5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-1-[2-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-naphthalen-1-yl-5-oxopyrrolidin-2-yl]benzimidazol-1-yl]cyclohexyl]oxy-2,3-dihydro-1-benzofuran-5-yl]pyrrolidin-2-one is Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCC(=O)N1c1ccc3c(c1)CC(OC1CCC(n4c([C@@H]5CCC(=O)N5c5cccc6ccccc56)nc5cc(-c6c(C)noc6C)ccc54)CC1)O3)n2C1CCC(O)CC1.

What is the InChIKey of (5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-1-[2-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-naphthalen-1-yl-5-oxopyrrolidin-2-yl]benzimidazol-1-yl]cyclohexyl]oxy-2,3-dihydro-1-benzofuran-5-yl]pyrrolidin-2-one?

The InChIKey is FADMZTQWDFLBPV-YETSFEHUSA-N. The full InChI is InChI=1S/C62H62N8O7/c1-34-59(36(3)76-65-34)39-12-23-51-48(31-39)63-61(68(51)42-14-19-45(71)20-15-42)53-25-28-56(72)67(53)44-18-27-55-41(30-44)33-58(75-55)74-46-21-16-43(17-22-46)69-52-24-13-40(60-35(2)66-77-37(60)4)32-49(52)64-62(69)54-26-29-57(73)70(54)50-11-7-9-38-8-5-6-10-47(38)50/h5-13,18,23-24,27,30-32,42-43,45-46,53-54,58,71H,14-17,19-22,25-26,28-29,33H2,1-4H3/t42?,43?,45?,46?,53-,54-,58?/m0/s1.

What are the key properties of (5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-1-[2-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-naphthalen-1-yl-5-oxopyrrolidin-2-yl]benzimidazol-1-yl]cyclohexyl]oxy-2,3-dihydro-1-benzofuran-5-yl]pyrrolidin-2-one?

(5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-1-[2-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-naphthalen-1-yl-5-oxopyrrolidin-2-yl]benzimidazol-1-yl]cyclohexyl]oxy-2,3-dihydro-1-benzofuran-5-yl]pyrrolidin-2-one has a molecular weight of 1031.23 g/mol, XLogP of 12.76, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-1-[2-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-naphthalen-1-yl-5-oxopyrrolidin-2-yl]benzimidazol-1-yl]cyclohexyl]oxy-2,3-dihydro-1-benzofuran-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 134457789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).