5-chloro-4-(4-chlorophenyl)-2-[4-[1-(2,4-dimethylphenyl)propyl]phenyl]-1H-pyrrole-3-carbonitrile;N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-4-phenoxy-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;2-(2,4-dimethylphenoxy)-N-[2-(4-phenoxy-2-phenyl-1H-imidazol-5-yl)phenyl]propanamide;formaldehyde

C103H90Cl3N11O8 — CID 91321569

About 5-chloro-4-(4-chlorophenyl)-2-[4-[1-(2,4-dimethylphenyl)propyl]phenyl]-1H-pyrrole-3-carbonitrile;N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-4-phenoxy-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;2-(2,4-dimethylphenoxy)-N-[2-(4-phenoxy-2-phenyl-1H-imidazol-5-yl)phenyl]propanamide;formaldehyde

5-chloro-4-(4-chlorophenyl)-2-[4-[1-(2,4-dimethylphenyl)propyl]phenyl]-1H-pyrrole-3-carbonitrile;N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-4-phenoxy-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;2-(2,4-dimethylphenoxy)-N-[2-(4-phenoxy-2-phenyl-1H-imidazol-5-yl)phenyl]propanamide;formaldehyde (PubChem CID 91321569) has the molecular formula C103H90Cl3N11O8 and a molecular weight of 1716.28 g/mol. Its IUPAC name is 5-chloro-4-(4-chlorophenyl)-2-[4-[1-(2,4-dimethylphenyl)propyl]phenyl]-1H-pyrrole-3-carbonitrile;N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-4-phenoxy-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;2-(2,4-dimethylphenoxy)-N-[2-(4-phenoxy-2-phenyl-1H-imidazol-5-yl)phenyl]propanamide;formaldehyde.

Molecular Properties

• Compound Name: 5-chloro-4-(4-chlorophenyl)-2-[4-[1-(2,4-dimethylphenyl)propyl]phenyl]-1H-pyrrole-3-carbonitrile;N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-4-phenoxy-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;2-(2,4-dimethylphenoxy)-N-[2-(4-phenoxy-2-phenyl-1H-imidazol-5-yl)phenyl]propanamide;formaldehyde
• PubChem CID: 91321569
• Molecular Formula: C103H90Cl3N11O8
• Molecular Weight: 1716.28 g/mol
• Exact Mass: 1713.60
• IUPAC Name: 5-chloro-4-(4-chlorophenyl)-2-[4-[1-(2,4-dimethylphenyl)propyl]phenyl]-1H-pyrrole-3-carbonitrile;N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-4-phenoxy-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;2-(2,4-dimethylphenoxy)-N-[2-(4-phenoxy-2-phenyl-1H-imidazol-5-yl)phenyl]propanamide;formaldehyde
• SMILES: C=O.CCC(c1ccc(-c2[nH]c(Cl)c(-c3ccc(Cl)cc3)c2C#N)cc1)c1ccc(C)cc1C.Cc1ccc(OC(C)C(=O)Nc2ccccc2-c2[nH]c(-c3ccccc3)nc2Oc2ccccc2)c(C)c1.Cc1ccc(OC(C)C(=O)Nc2ccccc2-c2[nH]c(-n3nc(-c4ccccc4)c(Cl)c3NC(=O)c3ccccc3)nc2Oc2ccccc2)c(C)c1
• InChI: InChI=1S/C42H35ClN6O4.C32H29N3O3.C28H24Cl2N2.CH2O/c1-26-23-24-34(27(2)25-26)52-28(3)39(50)44-33-22-14-13-21-32(33)37-41(53-31-19-11-6-12-20-31)47-42(45-37)49-38(46-40(51)30-17-9-5-10-18-30)35(43)36(48-49)29-15-7-4-8-16-29;1-21-18-19-28(22(2)20-21)37-23(3)31(36)33-27-17-11-10-16-26(27)29-32(38-25-14-8-5-9-15-25)35-30(34-29)24-12-6-4-7-13-24;1-4-23(24-14-5-17(2)15-18(24)3)19-6-8-21(9-7-19)27-25(16-31)26(28(30)32-27)20-10-12-22(29)13-11-20;1-2/h4-25,28H,1-3H3,(H,44,50)(H,45,47)(H,46,51);4-20,23H,1-3H3,(H,33,36)(H,34,35);5-15,23,32H,4H2,1-3H3;1H2
• InChIKey: MSPJHLOPIFDSHM-UHFFFAOYSA-N
• XLogP: 25.71
• TPSA: 256.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 24
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1716.28
LogP ≤ 5	25.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chlorophenyl)-2-[4-[1-(2,4-dimethylphenyl)propyl]phenyl]-1H-pyrrole-3-carbonitrile;N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-4-phenoxy-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;2-(2,4-dimethylphenoxy)-N-[2-(4-phenoxy-2-phenyl-1H-imidazol-5-yl)phenyl]propanamide;formaldehyde?

The IUPAC name of 5-chloro-4-(4-chlorophenyl)-2-[4-[1-(2,4-dimethylphenyl)propyl]phenyl]-1H-pyrrole-3-carbonitrile;N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-4-phenoxy-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;2-(2,4-dimethylphenoxy)-N-[2-(4-phenoxy-2-phenyl-1H-imidazol-5-yl)phenyl]propanamide;formaldehyde (CID 91321569) is 5-chloro-4-(4-chlorophenyl)-2-[4-[1-(2,4-dimethylphenyl)propyl]phenyl]-1H-pyrrole-3-carbonitrile;N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-4-phenoxy-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;2-(2,4-dimethylphenoxy)-N-[2-(4-phenoxy-2-phenyl-1H-imidazol-5-yl)phenyl]propanamide;formaldehyde.

What is the SMILES notation for 5-chloro-4-(4-chlorophenyl)-2-[4-[1-(2,4-dimethylphenyl)propyl]phenyl]-1H-pyrrole-3-carbonitrile;N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-4-phenoxy-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;2-(2,4-dimethylphenoxy)-N-[2-(4-phenoxy-2-phenyl-1H-imidazol-5-yl)phenyl]propanamide;formaldehyde?

The canonical SMILES for 5-chloro-4-(4-chlorophenyl)-2-[4-[1-(2,4-dimethylphenyl)propyl]phenyl]-1H-pyrrole-3-carbonitrile;N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-4-phenoxy-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;2-(2,4-dimethylphenoxy)-N-[2-(4-phenoxy-2-phenyl-1H-imidazol-5-yl)phenyl]propanamide;formaldehyde is C=O.CCC(c1ccc(-c2[nH]c(Cl)c(-c3ccc(Cl)cc3)c2C#N)cc1)c1ccc(C)cc1C.Cc1ccc(OC(C)C(=O)Nc2ccccc2-c2[nH]c(-c3ccccc3)nc2Oc2ccccc2)c(C)c1.Cc1ccc(OC(C)C(=O)Nc2ccccc2-c2[nH]c(-n3nc(-c4ccccc4)c(Cl)c3NC(=O)c3ccccc3)nc2Oc2ccccc2)c(C)c1.

What is the InChIKey of 5-chloro-4-(4-chlorophenyl)-2-[4-[1-(2,4-dimethylphenyl)propyl]phenyl]-1H-pyrrole-3-carbonitrile;N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-4-phenoxy-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;2-(2,4-dimethylphenoxy)-N-[2-(4-phenoxy-2-phenyl-1H-imidazol-5-yl)phenyl]propanamide;formaldehyde?

The InChIKey is MSPJHLOPIFDSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35ClN6O4.C32H29N3O3.C28H24Cl2N2.CH2O/c1-26-23-24-34(27(2)25-26)52-28(3)39(50)44-33-22-14-13-21-32(33)37-41(53-31-19-11-6-12-20-31)47-42(45-37)49-38(46-40(51)30-17-9-5-10-18-30)35(43)36(48-49)29-15-7-4-8-16-29;1-21-18-19-28(22(2)20-21)37-23(3)31(36)33-27-17-11-10-16-26(27)29-32(38-25-14-8-5-9-15-25)35-30(34-29)24-12-6-4-7-13-24;1-4-23(24-14-5-17(2)15-18(24)3)19-6-8-21(9-7-19)27-25(16-31)26(28(30)32-27)20-10-12-22(29)13-11-20;1-2/h4-25,28H,1-3H3,(H,44,50)(H,45,47)(H,46,51);4-20,23H,1-3H3,(H,33,36)(H,34,35);5-15,23,32H,4H2,1-3H3;1H2.

What are the key properties of 5-chloro-4-(4-chlorophenyl)-2-[4-[1-(2,4-dimethylphenyl)propyl]phenyl]-1H-pyrrole-3-carbonitrile;N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-4-phenoxy-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;2-(2,4-dimethylphenoxy)-N-[2-(4-phenoxy-2-phenyl-1H-imidazol-5-yl)phenyl]propanamide;formaldehyde?

5-chloro-4-(4-chlorophenyl)-2-[4-[1-(2,4-dimethylphenyl)propyl]phenyl]-1H-pyrrole-3-carbonitrile;N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-4-phenoxy-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;2-(2,4-dimethylphenoxy)-N-[2-(4-phenoxy-2-phenyl-1H-imidazol-5-yl)phenyl]propanamide;formaldehyde has a molecular weight of 1716.28 g/mol, XLogP of 25.71, 24 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-(4-chlorophenyl)-2-[4-[1-(2,4-dimethylphenyl)propyl]phenyl]-1H-pyrrole-3-carbonitrile;N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-4-phenoxy-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;2-(2,4-dimethylphenoxy)-N-[2-(4-phenoxy-2-phenyl-1H-imidazol-5-yl)phenyl]propanamide;formaldehyde is sourced from PubChem (CID 91321569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).