4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)thiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-2-yl)thiophen-2-yl]morpholine;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carbaldehyde;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxylic acid;propane-1,2-diamine

C73H68Cl8N14O7S4 — CID 158643436

About 4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)thiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-2-yl)thiophen-2-yl]morpholine;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carbaldehyde;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxylic acid;propane-1,2-diamine

4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)thiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-2-yl)thiophen-2-yl]morpholine;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carbaldehyde;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxylic acid;propane-1,2-diamine (PubChem CID 158643436) has the molecular formula C73H68Cl8N14O7S4 and a molecular weight of 1665.33 g/mol. Its IUPAC name is 4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)thiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-2-yl)thiophen-2-yl]morpholine;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carbaldehyde;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxylic acid;propane-1,2-diamine.

Molecular Properties

• Compound Name: 4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)thiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-2-yl)thiophen-2-yl]morpholine;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carbaldehyde;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxylic acid;propane-1,2-diamine
• PubChem CID: 158643436
• Molecular Formula: C73H68Cl8N14O7S4
• Molecular Weight: 1665.33 g/mol
• Exact Mass: 1660.18
• IUPAC Name: 4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)thiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-2-yl)thiophen-2-yl]morpholine;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carbaldehyde;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxylic acid;propane-1,2-diamine
• SMILES: CC(N)CN.[C-]#[N+]c1c(N2CCOCC2)sc(-c2ncc(C)[nH]2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCOCC2)sc(C(=O)O)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCOCC2)sc(C2=NCC(C)N2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCOCC2)sc(C=O)c1-c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C19H18Cl2N4OS.C19H16Cl2N4OS.C16H12Cl2N2O3S.C16H12Cl2N2O2S.C3H10N2/c2*1-11-10-23-18(24-11)17-15(13-4-3-12(20)9-14(13)21)16(22-2)19(27-17)25-5-7-26-8-6-25;1-19-13-12(10-3-2-9(17)8-11(10)18)14(16(21)22)24-15(13)20-4-6-23-7-5-20;1-19-15-14(11-3-2-10(17)8-12(11)18)13(9-21)23-16(15)20-4-6-22-7-5-20;1-3(5)2-4/h3-4,9,11H,5-8,10H2,1H3,(H,23,24);3-4,9-10H,5-8H2,1H3,(H,23,24);2-3,8H,4-7H2,(H,21,22);2-3,8-9H,4-7H2;3H,2,4-5H2,1H3
• InChIKey: IARAEFANQPVREI-UHFFFAOYSA-N
• XLogP: 19.68
• TPSA: 226.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1665.33
LogP ≤ 5	19.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)thiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-2-yl)thiophen-2-yl]morpholine;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carbaldehyde;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxylic acid;propane-1,2-diamine?

The IUPAC name of 4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)thiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-2-yl)thiophen-2-yl]morpholine;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carbaldehyde;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxylic acid;propane-1,2-diamine (CID 158643436) is 4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)thiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-2-yl)thiophen-2-yl]morpholine;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carbaldehyde;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxylic acid;propane-1,2-diamine.

What is the SMILES notation for 4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)thiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-2-yl)thiophen-2-yl]morpholine;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carbaldehyde;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxylic acid;propane-1,2-diamine?

The canonical SMILES for 4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)thiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-2-yl)thiophen-2-yl]morpholine;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carbaldehyde;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxylic acid;propane-1,2-diamine is CC(N)CN.[C-]#[N+]c1c(N2CCOCC2)sc(-c2ncc(C)[nH]2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCOCC2)sc(C(=O)O)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCOCC2)sc(C2=NCC(C)N2)c1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1c(N2CCOCC2)sc(C=O)c1-c1ccc(Cl)cc1Cl.

What is the InChIKey of 4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)thiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-2-yl)thiophen-2-yl]morpholine;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carbaldehyde;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxylic acid;propane-1,2-diamine?

The InChIKey is IARAEFANQPVREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4OS.C19H16Cl2N4OS.C16H12Cl2N2O3S.C16H12Cl2N2O2S.C3H10N2/c2*1-11-10-23-18(24-11)17-15(13-4-3-12(20)9-14(13)21)16(22-2)19(27-17)25-5-7-26-8-6-25;1-19-13-12(10-3-2-9(17)8-11(10)18)14(16(21)22)24-15(13)20-4-6-23-7-5-20;1-19-15-14(11-3-2-10(17)8-12(11)18)13(9-21)23-16(15)20-4-6-22-7-5-20;1-3(5)2-4/h3-4,9,11H,5-8,10H2,1H3,(H,23,24);3-4,9-10H,5-8H2,1H3,(H,23,24);2-3,8H,4-7H2,(H,21,22);2-3,8-9H,4-7H2;3H,2,4-5H2,1H3.

What are the key properties of 4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)thiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-2-yl)thiophen-2-yl]morpholine;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carbaldehyde;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxylic acid;propane-1,2-diamine?

4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)thiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-2-yl)thiophen-2-yl]morpholine;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carbaldehyde;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxylic acid;propane-1,2-diamine has a molecular weight of 1665.33 g/mol, XLogP of 19.68, 13 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)thiophen-2-yl]morpholine;4-[4-(2,4-dichlorophenyl)-3-isocyano-5-(5-methyl-1H-imidazol-2-yl)thiophen-2-yl]morpholine;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carbaldehyde;3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxylic acid;propane-1,2-diamine is sourced from PubChem (CID 158643436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).