1-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea

C164H172N36O14S — CID 158959344

About 1-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea

1-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea (PubChem CID 158959344) has the molecular formula C164H172N36O14S and a molecular weight of 2903.48 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea.

Molecular Properties

• Compound Name: 1-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea
• PubChem CID: 158959344
• Molecular Formula: C164H172N36O14S
• Molecular Weight: 2903.48 g/mol
• Exact Mass: 2901.36
• IUPAC Name: 1-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea
• SMILES: CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccn4C)cc3n2C2CCC2)cc1.Cc1cn(C)c(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)n1.Cc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)n1C.Cc1nc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)s1.Cc1noc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)n1
• InChI: InChI=1S/2C28H30N6O2.2C27H28N6O3.C27H28N6O2S.C27H28N6O2/c1-17(2)30-27(35)32-20-10-8-19(9-11-20)26-24(15-29)23-13-12-22(36-28-31-18(3)16-33(28)4)14-25(23)34(26)21-6-5-7-21;1-17(2)31-27(35)32-20-10-8-19(9-11-20)26-24(15-29)23-13-12-22(36-28-30-16-18(3)33(28)4)14-25(23)34(26)21-6-5-7-21;1-16(2)29-27(34)31-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(35-15-25-30-17(3)36-32-25)13-24(22)33(26)20-5-4-6-20;1-16(2)29-27(34)31-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(35-15-25-30-17(3)32-36-25)13-24(22)33(26)20-5-4-6-20;1-16(2)29-27(34)30-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(35-15-25-32-31-17(3)36-25)13-24(22)33(26)20-5-4-6-20;1-17(2)30-26(34)31-19-9-7-18(8-10-19)25-23(16-28)22-12-11-21(35-27-29-13-14-32(27)3)15-24(22)33(25)20-5-4-6-20/h8-14,16-17,21H,5-7H2,1-4H3,(H2,30,32,35);8-14,16-17,21H,5-7H2,1-4H3,(H2,31,32,35);2*7-13,16,20H,4-6,15H2,1-3H3,(H2,29,31,34);7-13,16,20H,4-6,15H2,1-3H3,(H2,29,30,34);7-15,17,20H,4-6H2,1-3H3,(H2,30,31,34)
• InChIKey: JMKNGBHAMIPWPT-UHFFFAOYSA-N
• XLogP: 36.08
• TPSA: 631.56 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 39
• Rotatable Bonds: 39
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2903.48
LogP ≤ 5	36.08
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea?

The IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea (CID 158959344) is 1-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea.

What is the SMILES notation for 1-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea?

The canonical SMILES for 1-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccn4C)cc3n2C2CCC2)cc1.Cc1cn(C)c(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)n1.Cc1cnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)n1C.Cc1nc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)s1.Cc1noc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)n1.

What is the InChIKey of 1-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea?

The InChIKey is JMKNGBHAMIPWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H30N6O2.2C27H28N6O3.C27H28N6O2S.C27H28N6O2/c1-17(2)30-27(35)32-20-10-8-19(9-11-20)26-24(15-29)23-13-12-22(36-28-31-18(3)16-33(28)4)14-25(23)34(26)21-6-5-7-21;1-17(2)31-27(35)32-20-10-8-19(9-11-20)26-24(15-29)23-13-12-22(36-28-30-16-18(3)33(28)4)14-25(23)34(26)21-6-5-7-21;1-16(2)29-27(34)31-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(35-15-25-30-17(3)36-32-25)13-24(22)33(26)20-5-4-6-20;1-16(2)29-27(34)31-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(35-15-25-30-17(3)32-36-25)13-24(22)33(26)20-5-4-6-20;1-16(2)29-27(34)30-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(35-15-25-32-31-17(3)36-25)13-24(22)33(26)20-5-4-6-20;1-17(2)30-26(34)31-19-9-7-18(8-10-19)25-23(16-28)22-12-11-21(35-27-29-13-14-32(27)3)15-24(22)33(25)20-5-4-6-20/h8-14,16-17,21H,5-7H2,1-4H3,(H2,30,32,35);8-14,16-17,21H,5-7H2,1-4H3,(H2,31,32,35);2*7-13,16,20H,4-6,15H2,1-3H3,(H2,29,31,34);7-13,16,20H,4-6,15H2,1-3H3,(H2,29,30,34);7-15,17,20H,4-6H2,1-3H3,(H2,30,31,34).

What are the key properties of 1-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea?

1-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea has a molecular weight of 2903.48 g/mol, XLogP of 36.08, 39 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 158959344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).