N-[1-[4-[2-(1-acetamidoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide

C113H124Cl3F7N14O14 — CID 173059516

IUPACN-[1-[4-[2-(1-acetamidoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCC(=O)NC(C)c1nc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2)cn1C.CCn1cc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C(F)(F)F)c(C#N)c3)cc2)nc1C(C)(C)O.Cc1cccn2cc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C(F)(F)F)c(Cl)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)c(F)c3)nc12
InChIInChI=1S/C29H33F3N4O4.C28H27ClF3N3O3.C28H29ClFN3O3.C28H35ClN4O4/c1-5-36-17-24(35-27(36)28(3,4)39)20-8-6-19(7-9-20)14-23(12-13-37)34-26(38)21-10-11-25(22(15-21)16-33)40-18(2)29(30,31)32;1-17-4-3-12-35-16-24(34-26(17)35)20-7-5-19(6-8-20)14-22(11-13-36)33-27(37)21-9-10-25(23(29)15-21)38-18(2)28(30,31)32;1-17(2)36-26-9-8-21(14-23(26)29)28(35)31-22(10-12-34)13-19-6-7-20(15-24(19)30)25-16-33-11-4-5-18(3)27(33)32-25;1-17(2)37-26-11-10-22(15-24(26)29)28(36)31-23(12-13-34)14-20-6-8-21(9-7-20)25-16-33(5)27(32-25)18(3)30-19(4)35/h6-11,15,17-18,23,37,39H,5,12-14H2,1-4H3,(H,34,38);3-10,12,15-16,18,22,36H,11,13-14H2,1-2H3,(H,33,37);4-9,11,14-17,22,34H,10,12-13H2,1-3H3,(H,31,35);6-11,15-18,23,34H,12-14H2,1-5H3,(H,30,35)(H,31,36)
InChIKeyMSMGKRXCDGYXOA-UHFFFAOYSA-N
MW2141.66 g/mol
LogP20.80
Rot. Bonds40

About N-[1-[4-[2-(1-acetamidoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide

N-[1-[4-[2-(1-acetamidoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide (PubChem CID 173059516) has the molecular formula C113H124Cl3F7N14O14 and a molecular weight of 2141.66 g/mol. Its IUPAC name is N-[1-[4-[2-(1-acetamidoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide.

Molecular Properties

Compound NameN-[1-[4-[2-(1-acetamidoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
PubChem CID173059516
Molecular FormulaC113H124Cl3F7N14O14
Molecular Weight2141.66 g/mol
Exact Mass2138.84
IUPAC NameN-[1-[4-[2-(1-acetamidoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCC(=O)NC(C)c1nc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2)cn1C.CCn1cc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C(F)(F)F)c(C#N)c3)cc2)nc1C(C)(C)O.Cc1cccn2cc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C(F)(F)F)c(Cl)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)c(F)c3)nc12
InChIInChI=1S/C29H33F3N4O4.C28H27ClF3N3O3.C28H29ClFN3O3.C28H35ClN4O4/c1-5-36-17-24(35-27(36)28(3,4)39)20-8-6-19(7-9-20)14-23(12-13-37)34-26(38)21-10-11-25(22(15-21)16-33)40-18(2)29(30,31)32;1-17-4-3-12-35-16-24(34-26(17)35)20-7-5-19(6-8-20)14-22(11-13-36)33-27(37)21-9-10-25(23(29)15-21)38-18(2)28(30,31)32;1-17(2)36-26-9-8-21(14-23(26)29)28(35)31-22(10-12-34)13-19-6-7-20(15-24(19)30)25-16-33-11-4-5-18(3)27(33)32-25;1-17(2)37-26-11-10-22(15-24(26)29)28(36)31-23(12-13-34)14-20-6-8-21(9-7-20)25-16-33(5)27(32-25)18(3)30-19(4)35/h6-11,15,17-18,23,37,39H,5,12-14H2,1-4H3,(H,34,38);3-10,12,15-16,18,22,36H,11,13-14H2,1-2H3,(H,33,37);4-9,11,14-17,22,34H,10,12-13H2,1-3H3,(H,31,35);6-11,15-18,23,34H,12-14H2,1-5H3,(H,30,35)(H,31,36)
InChIKeyMSMGKRXCDGYXOA-UHFFFAOYSA-N
XLogP20.80
TPSA377.60 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds40
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002141.66
LogP ≤ 520.80
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze N-[1-[4-[2-(1-acetamidoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(1-acetamidoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The IUPAC name of N-[1-[4-[2-(1-acetamidoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide (CID 173059516) is N-[1-[4-[2-(1-acetamidoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide.
What is the SMILES notation for N-[1-[4-[2-(1-acetamidoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The canonical SMILES for N-[1-[4-[2-(1-acetamidoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide is CC(=O)NC(C)c1nc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C)c(Cl)c3)cc2)cn1C.CCn1cc(-c2ccc(CC(CCO)NC(=O)c3ccc(OC(C)C(F)(F)F)c(C#N)c3)cc2)nc1C(C)(C)O.Cc1cccn2cc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C(F)(F)F)c(Cl)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)c(F)c3)nc12.
What is the InChIKey of N-[1-[4-[2-(1-acetamidoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The InChIKey is MSMGKRXCDGYXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F3N4O4.C28H27ClF3N3O3.C28H29ClFN3O3.C28H35ClN4O4/c1-5-36-17-24(35-27(36)28(3,4)39)20-8-6-19(7-9-20)14-23(12-13-37)34-26(38)21-10-11-25(22(15-21)16-33)40-18(2)29(30,31)32;1-17-4-3-12-35-16-24(34-26(17)35)20-7-5-19(6-8-20)14-22(11-13-36)33-27(37)21-9-10-25(23(29)15-21)38-18(2)28(30,31)32;1-17(2)36-26-9-8-21(14-23(26)29)28(35)31-22(10-12-34)13-19-6-7-20(15-24(19)30)25-16-33-11-4-5-18(3)27(33)32-25;1-17(2)37-26-11-10-22(15-24(26)29)28(36)31-23(12-13-34)14-20-6-8-21(9-7-20)25-16-33(5)27(32-25)18(3)30-19(4)35/h6-11,15,17-18,23,37,39H,5,12-14H2,1-4H3,(H,34,38);3-10,12,15-16,18,22,36H,11,13-14H2,1-2H3,(H,33,37);4-9,11,14-17,22,34H,10,12-13H2,1-3H3,(H,31,35);6-11,15-18,23,34H,12-14H2,1-5H3,(H,30,35)(H,31,36).
What are the key properties of N-[1-[4-[2-(1-acetamidoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?
N-[1-[4-[2-(1-acetamidoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide has a molecular weight of 2141.66 g/mol, XLogP of 20.80, 40 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(1-acetamidoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-cyano-N-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide is sourced from PubChem (CID 173059516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).