2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine;2-[2-(2-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-(2-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(3,4-dichlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;N'-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-3-methylbutanimidamide;2-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine

C86H119Cl12N39 — CID 159213439

About 2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine;2-[2-(2-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-(2-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(3,4-dichlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;N'-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-3-methylbutanimidamide;2-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine

2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine;2-[2-(2-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-(2-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(3,4-dichlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;N'-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-3-methylbutanimidamide;2-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine (PubChem CID 159213439) has the molecular formula C86H119Cl12N39 and a molecular weight of 2124.61 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine;2-[2-(2-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-(2-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(3,4-dichlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;N'-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-3-methylbutanimidamide;2-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine;2-[2-(2-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-(2-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(3,4-dichlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;N'-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-3-methylbutanimidamide;2-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine
• PubChem CID: 159213439
• Molecular Formula: C86H119Cl12N39
• Molecular Weight: 2124.61 g/mol
• Exact Mass: 2117.68
• IUPAC Name: 2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine;2-[2-(2-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-(2-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(3,4-dichlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;N'-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-3-methylbutanimidamide;2-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine
• SMILES: CC(C)/N=C(\N)N=C(N)N(C)c1ccccc1Cl.CC(C)CC(N)=N/C(N)=N/CCc1ccc(Cl)c(Cl)c1.CN(C)C(N)=N/C(N)=N/CCc1ccc(Cl)c(Cl)c1.CN(C)C(N)=N/C(N)=N/Cc1ccc(Cl)c(Cl)c1.CN(C)C(N)=N/C(N)=N/c1ccc(Cl)c(Cl)c1.NC(N)=N/C(N)=N/CCc1ccccc1Cl.NC(N)=N/C(N)=N/Cc1ccccc1Cl.NC(N)=N/C(N)=N/c1ccccc1Cl
• InChI: InChI=1S/C14H20Cl2N4.C12H17Cl2N5.C12H18ClN5.C11H15Cl2N5.C10H13Cl2N5.C10H14ClN5.C9H12ClN5.C8H10ClN5/c1-9(2)7-13(17)20-14(18)19-6-5-10-3-4-11(15)12(16)8-10;1-19(2)12(16)18-11(15)17-6-5-8-3-4-9(13)10(14)7-8;1-8(2)16-11(14)17-12(15)18(3)10-7-5-4-6-9(10)13;1-18(2)11(15)17-10(14)16-6-7-3-4-8(12)9(13)5-7;1-17(2)10(14)16-9(13)15-6-3-4-7(11)8(12)5-6;11-8-4-2-1-3-7(8)5-6-15-10(14)16-9(12)13;10-7-4-2-1-3-6(7)5-14-9(13)15-8(11)12;9-5-3-1-2-4-6(5)13-8(12)14-7(10)11/h3-4,8-9H,5-7H2,1-2H3,(H4,17,18,19,20);3-4,7H,5-6H2,1-2H3,(H4,15,16,17,18);4-8H,1-3H3,(H4,14,15,16,17);3-5H,6H2,1-2H3,(H4,14,15,16,17);3-5H,1-2H3,(H4,13,14,15,16);1-4H,5-6H2,(H6,12,13,14,15,16);1-4H,5H2,(H6,11,12,13,14,15);1-4H,(H6,10,11,12,13,14)
• InChIKey: KQTXFOWYMARJLK-UHFFFAOYSA-N
• XLogP: 11.75
• TPSA: 705.10 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2124.61
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine;2-[2-(2-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-(2-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(3,4-dichlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;N'-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-3-methylbutanimidamide;2-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine?

The IUPAC name of 2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine;2-[2-(2-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-(2-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(3,4-dichlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;N'-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-3-methylbutanimidamide;2-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine (CID 159213439) is 2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine;2-[2-(2-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-(2-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(3,4-dichlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;N'-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-3-methylbutanimidamide;2-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine.

What is the SMILES notation for 2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine;2-[2-(2-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-(2-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(3,4-dichlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;N'-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-3-methylbutanimidamide;2-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine?

The canonical SMILES for 2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine;2-[2-(2-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-(2-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(3,4-dichlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;N'-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-3-methylbutanimidamide;2-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine is CC(C)/N=C(\N)N=C(N)N(C)c1ccccc1Cl.CC(C)CC(N)=N/C(N)=N/CCc1ccc(Cl)c(Cl)c1.CN(C)C(N)=N/C(N)=N/CCc1ccc(Cl)c(Cl)c1.CN(C)C(N)=N/C(N)=N/Cc1ccc(Cl)c(Cl)c1.CN(C)C(N)=N/C(N)=N/c1ccc(Cl)c(Cl)c1.NC(N)=N/C(N)=N/CCc1ccccc1Cl.NC(N)=N/C(N)=N/Cc1ccccc1Cl.NC(N)=N/C(N)=N/c1ccccc1Cl.

What is the InChIKey of 2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine;2-[2-(2-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-(2-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(3,4-dichlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;N'-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-3-methylbutanimidamide;2-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine?

The InChIKey is KQTXFOWYMARJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N4.C12H17Cl2N5.C12H18ClN5.C11H15Cl2N5.C10H13Cl2N5.C10H14ClN5.C9H12ClN5.C8H10ClN5/c1-9(2)7-13(17)20-14(18)19-6-5-10-3-4-11(15)12(16)8-10;1-19(2)12(16)18-11(15)17-6-5-8-3-4-9(13)10(14)7-8;1-8(2)16-11(14)17-12(15)18(3)10-7-5-4-6-9(10)13;1-18(2)11(15)17-10(14)16-6-7-3-4-8(12)9(13)5-7;1-17(2)10(14)16-9(13)15-6-3-4-7(11)8(12)5-6;11-8-4-2-1-3-7(8)5-6-15-10(14)16-9(12)13;10-7-4-2-1-3-6(7)5-14-9(13)15-8(11)12;9-5-3-1-2-4-6(5)13-8(12)14-7(10)11/h3-4,8-9H,5-7H2,1-2H3,(H4,17,18,19,20);3-4,7H,5-6H2,1-2H3,(H4,15,16,17,18);4-8H,1-3H3,(H4,14,15,16,17);3-5H,6H2,1-2H3,(H4,14,15,16,17);3-5H,1-2H3,(H4,13,14,15,16);1-4H,5-6H2,(H6,12,13,14,15,16);1-4H,5H2,(H6,11,12,13,14,15);1-4H,(H6,10,11,12,13,14).

What are the key properties of 2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine;2-[2-(2-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-(2-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(3,4-dichlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;N'-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-3-methylbutanimidamide;2-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine?

2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine;2-[2-(2-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-(2-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(3,4-dichlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;N'-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-3-methylbutanimidamide;2-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine has a molecular weight of 2124.61 g/mol, XLogP of 11.75, 19 rotatable bonds, 19 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-1-(diaminomethylidene)guanidine;2-[2-(2-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-(2-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(3,4-dichlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;N'-[N'-[2-(3,4-dichlorophenyl)ethyl]carbamimidoyl]-3-methylbutanimidamide;2-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine is sourced from PubChem (CID 159213439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).