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

C89H130Cl7N39 — CID 158745525

IUPAC2-[N'-(2-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;2-[2-(4-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;N'-[N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamimidoyl]-3-methylbutanimidamide;2-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;2-[(4-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-[(2-chlorophenyl)methyl]-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;1-(diaminomethylidene)-2-(3-methylphenyl)guanidine
SMILESCC(C)/N=C(\N)N=C(N)N(C)Cc1ccccc1Cl.CN(C)C(N)=N/C(N)=N/CCc1ccccc1Cl.CN(C)C(N)=N/C(N)=N/Cc1ccccc1Cl.CN(C)C(N)=N/C(N)=N/c1ccccc1Cl.Cc1cccc(/N=C(\N)N=C(N)N)c1.NC(N)=N/C(N)=N/CCc1ccc(Cl)cc1.NC(N)=N/C(N)=N/Cc1ccc(Cl)cc1.[H]/N=C(/N=C(N)CC(C)C)N(C)CCc1ccccc1Cl
InChIInChI=1S/C15H23ClN4.C13H20ClN5.C12H18ClN5.C11H16ClN5.2C10H14ClN5.C9H12ClN5.C9H13N5/c1-11(2)10-14(17)19-15(18)20(3)9-8-12-6-4-5-7-13(12)16;1-9(2)17-12(15)18-13(16)19(3)8-10-6-4-5-7-11(10)14;1-18(2)12(15)17-11(14)16-8-7-9-5-3-4-6-10(9)13;1-17(2)11(14)16-10(13)15-7-8-5-3-4-6-9(8)12;1-16(2)10(13)15-9(12)14-8-6-4-3-5-7(8)11;11-8-3-1-7(2-4-8)5-6-15-10(14)16-9(12)13;10-7-3-1-6(2-4-7)5-14-9(13)15-8(11)12;1-6-3-2-4-7(5-6)13-9(12)14-8(10)11/h4-7,11H,8-10H2,1-3H3,(H3,17,18,19);4-7,9H,8H2,1-3H3,(H4,15,16,17,18);3-6H,7-8H2,1-2H3,(H4,14,15,16,17);3-6H,7H2,1-2H3,(H4,13,14,15,16);3-6H,1-2H3,(H4,12,13,14,15);1-4H,5-6H2,(H6,12,13,14,15,16);1-4H,5H2,(H6,11,12,13,14,15);2-5H,1H3,(H6,10,11,12,13,14)
InChIKeyIMVLAOQMPAHJTP-UHFFFAOYSA-N
MW1994.46 g/mol
LogP9.34
Rot. Bonds20

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

2-[N'-(2-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;2-[2-(4-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;N'-[N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamimidoyl]-3-methylbutanimidamide;2-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;2-[(4-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-[(2-chlorophenyl)methyl]-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;1-(diaminomethylidene)-2-(3-methylphenyl)guanidine (PubChem CID 158745525) has the molecular formula C89H130Cl7N39 and a molecular weight of 1994.46 g/mol. Its IUPAC name is 2-[N'-(2-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;2-[2-(4-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;N'-[N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamimidoyl]-3-methylbutanimidamide;2-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;2-[(4-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-[(2-chlorophenyl)methyl]-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;1-(diaminomethylidene)-2-(3-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[N'-(2-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;2-[2-(4-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;N'-[N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamimidoyl]-3-methylbutanimidamide;2-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;2-[(4-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-[(2-chlorophenyl)methyl]-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;1-(diaminomethylidene)-2-(3-methylphenyl)guanidine
PubChem CID158745525
Molecular FormulaC89H130Cl7N39
Molecular Weight1994.46 g/mol
Exact Mass1989.92
IUPAC Name2-[N'-(2-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;2-[2-(4-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;N'-[N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamimidoyl]-3-methylbutanimidamide;2-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;2-[(4-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-[(2-chlorophenyl)methyl]-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;1-(diaminomethylidene)-2-(3-methylphenyl)guanidine
SMILESCC(C)/N=C(\N)N=C(N)N(C)Cc1ccccc1Cl.CN(C)C(N)=N/C(N)=N/CCc1ccccc1Cl.CN(C)C(N)=N/C(N)=N/Cc1ccccc1Cl.CN(C)C(N)=N/C(N)=N/c1ccccc1Cl.Cc1cccc(/N=C(\N)N=C(N)N)c1.NC(N)=N/C(N)=N/CCc1ccc(Cl)cc1.NC(N)=N/C(N)=N/Cc1ccc(Cl)cc1.[H]/N=C(/N=C(N)CC(C)C)N(C)CCc1ccccc1Cl
InChIInChI=1S/C15H23ClN4.C13H20ClN5.C12H18ClN5.C11H16ClN5.2C10H14ClN5.C9H12ClN5.C9H13N5/c1-11(2)10-14(17)19-15(18)20(3)9-8-12-6-4-5-7-13(12)16;1-9(2)17-12(15)18-13(16)19(3)8-10-6-4-5-7-11(10)14;1-18(2)12(15)17-11(14)16-8-7-9-5-3-4-6-10(9)13;1-17(2)11(14)16-10(13)15-7-8-5-3-4-6-9(8)12;1-16(2)10(13)15-9(12)14-8-6-4-3-5-7(8)11;11-8-3-1-7(2-4-8)5-6-15-10(14)16-9(12)13;10-7-3-1-6(2-4-7)5-14-9(13)15-8(11)12;1-6-3-2-4-7(5-6)13-9(12)14-8(10)11/h4-7,11H,8-10H2,1-3H3,(H3,17,18,19);4-7,9H,8H2,1-3H3,(H4,15,16,17,18);3-6H,7-8H2,1-2H3,(H4,14,15,16,17);3-6H,7H2,1-2H3,(H4,13,14,15,16);3-6H,1-2H3,(H4,12,13,14,15);1-4H,5-6H2,(H6,12,13,14,15,16);1-4H,5H2,(H6,11,12,13,14,15);2-5H,1H3,(H6,10,11,12,13,14)
InChIKeyIMVLAOQMPAHJTP-UHFFFAOYSA-N
XLogP9.34
TPSA693.81 Ų
H-Bond Donors19
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001994.46
LogP ≤ 59.34
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[N'-(2-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;2-[2-(4-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;N'-[N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamimidoyl]-3-methylbutanimidamide;2-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;2-[(4-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-[(2-chlorophenyl)methyl]-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;1-(diaminomethylidene)-2-(3-methylphenyl)guanidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[N'-(2-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;2-[2-(4-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;N'-[N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamimidoyl]-3-methylbutanimidamide;2-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;2-[(4-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-[(2-chlorophenyl)methyl]-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;1-(diaminomethylidene)-2-(3-methylphenyl)guanidine?
The IUPAC name of 2-[N'-(2-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;2-[2-(4-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;N'-[N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamimidoyl]-3-methylbutanimidamide;2-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;2-[(4-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-[(2-chlorophenyl)methyl]-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;1-(diaminomethylidene)-2-(3-methylphenyl)guanidine (CID 158745525) is 2-[N'-(2-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;2-[2-(4-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;N'-[N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamimidoyl]-3-methylbutanimidamide;2-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;2-[(4-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-[(2-chlorophenyl)methyl]-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;1-(diaminomethylidene)-2-(3-methylphenyl)guanidine.
What is the SMILES notation for 2-[N'-(2-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;2-[2-(4-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;N'-[N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamimidoyl]-3-methylbutanimidamide;2-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;2-[(4-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-[(2-chlorophenyl)methyl]-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;1-(diaminomethylidene)-2-(3-methylphenyl)guanidine?
The canonical SMILES for 2-[N'-(2-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;2-[2-(4-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;N'-[N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamimidoyl]-3-methylbutanimidamide;2-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;2-[(4-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-[(2-chlorophenyl)methyl]-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;1-(diaminomethylidene)-2-(3-methylphenyl)guanidine is CC(C)/N=C(\N)N=C(N)N(C)Cc1ccccc1Cl.CN(C)C(N)=N/C(N)=N/CCc1ccccc1Cl.CN(C)C(N)=N/C(N)=N/Cc1ccccc1Cl.CN(C)C(N)=N/C(N)=N/c1ccccc1Cl.Cc1cccc(/N=C(\N)N=C(N)N)c1.NC(N)=N/C(N)=N/CCc1ccc(Cl)cc1.NC(N)=N/C(N)=N/Cc1ccc(Cl)cc1.[H]/N=C(/N=C(N)CC(C)C)N(C)CCc1ccccc1Cl.
What is the InChIKey of 2-[N'-(2-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;2-[2-(4-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;N'-[N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamimidoyl]-3-methylbutanimidamide;2-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;2-[(4-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-[(2-chlorophenyl)methyl]-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;1-(diaminomethylidene)-2-(3-methylphenyl)guanidine?
The InChIKey is IMVLAOQMPAHJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4.C13H20ClN5.C12H18ClN5.C11H16ClN5.2C10H14ClN5.C9H12ClN5.C9H13N5/c1-11(2)10-14(17)19-15(18)20(3)9-8-12-6-4-5-7-13(12)16;1-9(2)17-12(15)18-13(16)19(3)8-10-6-4-5-7-11(10)14;1-18(2)12(15)17-11(14)16-8-7-9-5-3-4-6-10(9)13;1-17(2)11(14)16-10(13)15-7-8-5-3-4-6-9(8)12;1-16(2)10(13)15-9(12)14-8-6-4-3-5-7(8)11;11-8-3-1-7(2-4-8)5-6-15-10(14)16-9(12)13;10-7-3-1-6(2-4-7)5-14-9(13)15-8(11)12;1-6-3-2-4-7(5-6)13-9(12)14-8(10)11/h4-7,11H,8-10H2,1-3H3,(H3,17,18,19);4-7,9H,8H2,1-3H3,(H4,15,16,17,18);3-6H,7-8H2,1-2H3,(H4,14,15,16,17);3-6H,7H2,1-2H3,(H4,13,14,15,16);3-6H,1-2H3,(H4,12,13,14,15);1-4H,5-6H2,(H6,12,13,14,15,16);1-4H,5H2,(H6,11,12,13,14,15);2-5H,1H3,(H6,10,11,12,13,14).
What are the key properties of 2-[N'-(2-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;2-[2-(4-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;N'-[N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamimidoyl]-3-methylbutanimidamide;2-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;2-[(4-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-[(2-chlorophenyl)methyl]-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;1-(diaminomethylidene)-2-(3-methylphenyl)guanidine?
2-[N'-(2-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;2-[2-(4-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;N'-[N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamimidoyl]-3-methylbutanimidamide;2-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;2-[(4-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-[(2-chlorophenyl)methyl]-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;1-(diaminomethylidene)-2-(3-methylphenyl)guanidine has a molecular weight of 1994.46 g/mol, XLogP of 9.34, 20 rotatable bonds, 19 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N'-(2-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;2-[N'-[2-(2-chlorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;2-[2-(4-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;N'-[N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamimidoyl]-3-methylbutanimidamide;2-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;2-[(4-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-[(2-chlorophenyl)methyl]-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;1-(diaminomethylidene)-2-(3-methylphenyl)guanidine is sourced from PubChem (CID 158745525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).