(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-phenylpiperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one

C52H56F4N8O4 — CID 158677236

IUPAC(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-phenylpiperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1)n2C1CCC(F)(F)CC1.Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1ccccc1)n2C1CCC(F)(F)CC1
InChIInChI=1S/C29H30F2N4O2.C23H26F2N4O2/c1-18-27(19(2)37-33-18)20-11-12-24-23(17-20)32-28(35(24)22-13-15-29(30,31)16-14-22)25-9-6-10-26(36)34(25)21-7-4-3-5-8-21;1-13-21(14(2)31-28-13)15-6-7-19-18(12-15)27-22(17-4-3-5-20(30)26-17)29(19)16-8-10-23(24,25)11-9-16/h3-5,7-8,11-12,17,22,25H,6,9-10,13-16H2,1-2H3;6-7,12,16-17H,3-5,8-11H2,1-2H3,(H,26,30)/t25-;17-/m00/s1
InChIKeyIERFDXSPDVEQNE-YYKPNZFUSA-N
MW933.06 g/mol
LogP12.72
Rot. Bonds7

About (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-phenylpiperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one

(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-phenylpiperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one (PubChem CID 158677236) has the molecular formula C52H56F4N8O4 and a molecular weight of 933.06 g/mol. Its IUPAC name is (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-phenylpiperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one.

Molecular Properties

Compound Name(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-phenylpiperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one
PubChem CID158677236
Molecular FormulaC52H56F4N8O4
Molecular Weight933.06 g/mol
Exact Mass932.44
IUPAC Name(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-phenylpiperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1)n2C1CCC(F)(F)CC1.Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1ccccc1)n2C1CCC(F)(F)CC1
InChIInChI=1S/C29H30F2N4O2.C23H26F2N4O2/c1-18-27(19(2)37-33-18)20-11-12-24-23(17-20)32-28(35(24)22-13-15-29(30,31)16-14-22)25-9-6-10-26(36)34(25)21-7-4-3-5-8-21;1-13-21(14(2)31-28-13)15-6-7-19-18(12-15)27-22(17-4-3-5-20(30)26-17)29(19)16-8-10-23(24,25)11-9-16/h3-5,7-8,11-12,17,22,25H,6,9-10,13-16H2,1-2H3;6-7,12,16-17H,3-5,8-11H2,1-2H3,(H,26,30)/t25-;17-/m00/s1
InChIKeyIERFDXSPDVEQNE-YYKPNZFUSA-N
XLogP12.72
TPSA137.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.06
LogP ≤ 512.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-phenylpiperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one with MolForge

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Related Compounds

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CID 122590884
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CID 129246026
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CID 130363906
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CID 139035552
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CID 170836196
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CID 175918120
CID 175918120

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-phenylpiperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one?
The IUPAC name of (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-phenylpiperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one (CID 158677236) is (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-phenylpiperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one.
What is the SMILES notation for (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-phenylpiperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one?
The canonical SMILES for (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-phenylpiperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one is Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1)n2C1CCC(F)(F)CC1.Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1ccccc1)n2C1CCC(F)(F)CC1.
What is the InChIKey of (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-phenylpiperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one?
The InChIKey is IERFDXSPDVEQNE-YYKPNZFUSA-N. The full InChI is InChI=1S/C29H30F2N4O2.C23H26F2N4O2/c1-18-27(19(2)37-33-18)20-11-12-24-23(17-20)32-28(35(24)22-13-15-29(30,31)16-14-22)25-9-6-10-26(36)34(25)21-7-4-3-5-8-21;1-13-21(14(2)31-28-13)15-6-7-19-18(12-15)27-22(17-4-3-5-20(30)26-17)29(19)16-8-10-23(24,25)11-9-16/h3-5,7-8,11-12,17,22,25H,6,9-10,13-16H2,1-2H3;6-7,12,16-17H,3-5,8-11H2,1-2H3,(H,26,30)/t25-;17-/m00/s1.
What are the key properties of (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-phenylpiperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one?
(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-phenylpiperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one has a molecular weight of 933.06 g/mol, XLogP of 12.72, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-phenylpiperidin-2-one;(6S)-6-[1-(4,4-difluorocyclohexyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]piperidin-2-one is sourced from PubChem (CID 158677236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).