[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone

C146H146F7N15O11 — CID 157450462

IUPAC[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)cc1C.Cc1cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)ccc1O.Cc1cccc(COc2ccc(C(=O)N3CCC(c4nc5ccccc5n4Cc4cccc(F)c4)CC3)cc2F)c1.O=C(C1CCOCC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.O=C(c1ccc(OCC2CCOCC2)c(F)c1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1
InChIInChI=1S/C34H31F2N3O2.C32H33F2N3O3.C28H28FN3O2.C27H26FN3O2.C25H28FN3O2/c1-23-6-4-8-25(18-23)22-41-32-13-12-27(20-29(32)36)34(40)38-16-14-26(15-17-38)33-37-30-10-2-3-11-31(30)39(33)21-24-7-5-9-28(35)19-24;33-26-5-3-4-23(18-26)20-37-29-7-2-1-6-28(29)35-31(37)24-10-14-36(15-11-24)32(38)25-8-9-30(27(34)19-25)40-21-22-12-16-39-17-13-22;1-19-16-22(10-11-26(19)34-2)28(33)31-14-12-21(13-15-31)27-30-24-8-3-4-9-25(24)32(27)18-20-6-5-7-23(29)17-20;1-18-15-21(9-10-25(18)32)27(33)30-13-11-20(12-14-30)26-29-23-7-2-3-8-24(23)31(26)17-19-5-4-6-22(28)16-19;26-21-5-3-4-18(16-21)17-29-23-7-2-1-6-22(23)27-24(29)19-8-12-28(13-9-19)25(30)20-10-14-31-15-11-20/h2-13,18-20,26H,14-17,21-22H2,1H3;1-9,18-19,22,24H,10-17,20-21H2;3-11,16-17,21H,12-15,18H2,1-2H3;2-10,15-16,20,32H,11-14,17H2,1H3;1-7,16,19-20H,8-15,17H2
InChIKeyBSSVGWAPJNNJNB-UHFFFAOYSA-N
MW2419.85 g/mol
LogP28.63
Rot. Bonds27

About [3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone

[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 157450462) has the molecular formula C146H146F7N15O11 and a molecular weight of 2419.85 g/mol. Its IUPAC name is [3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID157450462
Molecular FormulaC146H146F7N15O11
Molecular Weight2419.85 g/mol
Exact Mass2418.12
IUPAC Name[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)cc1C.Cc1cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)ccc1O.Cc1cccc(COc2ccc(C(=O)N3CCC(c4nc5ccccc5n4Cc4cccc(F)c4)CC3)cc2F)c1.O=C(C1CCOCC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.O=C(c1ccc(OCC2CCOCC2)c(F)c1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1
InChIInChI=1S/C34H31F2N3O2.C32H33F2N3O3.C28H28FN3O2.C27H26FN3O2.C25H28FN3O2/c1-23-6-4-8-25(18-23)22-41-32-13-12-27(20-29(32)36)34(40)38-16-14-26(15-17-38)33-37-30-10-2-3-11-31(30)39(33)21-24-7-5-9-28(35)19-24;33-26-5-3-4-23(18-26)20-37-29-7-2-1-6-28(29)35-31(37)24-10-14-36(15-11-24)32(38)25-8-9-30(27(34)19-25)40-21-22-12-16-39-17-13-22;1-19-16-22(10-11-26(19)34-2)28(33)31-14-12-21(13-15-31)27-30-24-8-3-4-9-25(24)32(27)18-20-6-5-7-23(29)17-20;1-18-15-21(9-10-25(18)32)27(33)30-13-11-20(12-14-30)26-29-23-7-2-3-8-24(23)31(26)17-19-5-4-6-22(28)16-19;26-21-5-3-4-18(16-21)17-29-23-7-2-1-6-22(23)27-24(29)19-8-12-28(13-9-19)25(30)20-10-14-31-15-11-20/h2-13,18-20,26H,14-17,21-22H2,1H3;1-9,18-19,22,24H,10-17,20-21H2;3-11,16-17,21H,12-15,18H2,1-2H3;2-10,15-16,20,32H,11-14,17H2,1H3;1-7,16,19-20H,8-15,17H2
InChIKeyBSSVGWAPJNNJNB-UHFFFAOYSA-N
XLogP28.63
TPSA257.03 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms179
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002419.85
LogP ≤ 528.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze [3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone (CID 157450462) is [3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone is COc1ccc(C(=O)N2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)cc1C.Cc1cc(C(=O)N2CCC(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)ccc1O.Cc1cccc(COc2ccc(C(=O)N3CCC(c4nc5ccccc5n4Cc4cccc(F)c4)CC3)cc2F)c1.O=C(C1CCOCC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.O=C(c1ccc(OCC2CCOCC2)c(F)c1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.
What is the InChIKey of [3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is BSSVGWAPJNNJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F2N3O2.C32H33F2N3O3.C28H28FN3O2.C27H26FN3O2.C25H28FN3O2/c1-23-6-4-8-25(18-23)22-41-32-13-12-27(20-29(32)36)34(40)38-16-14-26(15-17-38)33-37-30-10-2-3-11-31(30)39(33)21-24-7-5-9-28(35)19-24;33-26-5-3-4-23(18-26)20-37-29-7-2-1-6-28(29)35-31(37)24-10-14-36(15-11-24)32(38)25-8-9-30(27(34)19-25)40-21-22-12-16-39-17-13-22;1-19-16-22(10-11-26(19)34-2)28(33)31-14-12-21(13-15-31)27-30-24-8-3-4-9-25(24)32(27)18-20-6-5-7-23(29)17-20;1-18-15-21(9-10-25(18)32)27(33)30-13-11-20(12-14-30)26-29-23-7-2-3-8-24(23)31(26)17-19-5-4-6-22(28)16-19;26-21-5-3-4-18(16-21)17-29-23-7-2-1-6-22(23)27-24(29)19-8-12-28(13-9-19)25(30)20-10-14-31-15-11-20/h2-13,18-20,26H,14-17,21-22H2,1H3;1-9,18-19,22,24H,10-17,20-21H2;3-11,16-17,21H,12-15,18H2,1-2H3;2-10,15-16,20,32H,11-14,17H2,1H3;1-7,16,19-20H,8-15,17H2.
What are the key properties of [3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 2419.85 g/mol, XLogP of 28.63, 27 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(4-methoxy-3-methylphenyl)methanone;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 157450462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).