1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine

C87H123Cl8N45 — CID 158922540

IUPAC1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine
SMILESC/N=C(/N=C(N)N)N(C)c1ccc(Cl)cc1.C/N=C(/N=C(N)N)Nc1ccc(Cl)cc1.C/N=C(\N)N=C(N)Nc1ccc(Cl)cc1.CC(C)/N=C(\N)N=C(N)N(C)c1ccc(Cl)cc1.CN(C)C(N)=N/C(N)=N/CCC1=CCC=C1.NC(N)=N/C(N)=N/c1ccc(Cl)cc1.[H]/N=C(\N(C)/C(N)=N/[H])N(C)c1ccc(Cl)cc1.[H]/N=C(\N)N(C)/C(N)=N/c1ccc(Cl)cc1.[H]/N=C(\N=C(N)N)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN5.C11H19N5.2C10H14ClN5.4C9H12ClN5.C8H10ClN5/c1-8(2)16-11(14)17-12(15)18(3)10-6-4-9(13)5-7-10;1-16(2)11(13)15-10(12)14-8-7-9-5-3-4-6-9;1-15(10(14)16(2)9(12)13)8-5-3-7(11)4-6-8;1-14-10(15-9(12)13)16(2)8-5-3-7(11)4-6-8;1-13-8(11)15-9(12)14-7-4-2-6(10)3-5-7;1-15(9(13)14-8(11)12)7-4-2-6(10)3-5-7;1-15(8(11)12)9(13)14-7-4-2-6(10)3-5-7;1-13-9(15-8(11)12)14-7-4-2-6(10)3-5-7;9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h4-8H,1-3H3,(H4,14,15,16,17);3,5-6H,4,7-8H2,1-2H3,(H4,12,13,14,15);3-6,14H,1-2H3,(H3,12,13);3-6H,1-2H3,(H4,12,13,14,15);2-5H,1H3,(H5,11,12,13,14,15);2-5H,1H3,(H5,11,12,13,14);2-5H,1H3,(H3,11,12)(H2,13,14);2-5H,1H3,(H5,11,12,13,14,15);1-4H,(H6,10,11,12,13,14)/b;;14-10-;;;;;;
InChIKeyJIACVFKTTVXSJD-AUEIERCZSA-N
MW2082.88 g/mol
LogP9.52
Rot. Bonds12

About 1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine

1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine (PubChem CID 158922540) has the molecular formula C87H123Cl8N45 and a molecular weight of 2082.88 g/mol. Its IUPAC name is 1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine.

Molecular Properties

Compound Name1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine
PubChem CID158922540
Molecular FormulaC87H123Cl8N45
Molecular Weight2082.88 g/mol
Exact Mass2077.85
IUPAC Name1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine
SMILESC/N=C(/N=C(N)N)N(C)c1ccc(Cl)cc1.C/N=C(/N=C(N)N)Nc1ccc(Cl)cc1.C/N=C(\N)N=C(N)Nc1ccc(Cl)cc1.CC(C)/N=C(\N)N=C(N)N(C)c1ccc(Cl)cc1.CN(C)C(N)=N/C(N)=N/CCC1=CCC=C1.NC(N)=N/C(N)=N/c1ccc(Cl)cc1.[H]/N=C(\N(C)/C(N)=N/[H])N(C)c1ccc(Cl)cc1.[H]/N=C(\N)N(C)/C(N)=N/c1ccc(Cl)cc1.[H]/N=C(\N=C(N)N)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN5.C11H19N5.2C10H14ClN5.4C9H12ClN5.C8H10ClN5/c1-8(2)16-11(14)17-12(15)18(3)10-6-4-9(13)5-7-10;1-16(2)11(13)15-10(12)14-8-7-9-5-3-4-6-9;1-15(10(14)16(2)9(12)13)8-5-3-7(11)4-6-8;1-14-10(15-9(12)13)16(2)8-5-3-7(11)4-6-8;1-13-8(11)15-9(12)14-7-4-2-6(10)3-5-7;1-15(9(13)14-8(11)12)7-4-2-6(10)3-5-7;1-15(8(11)12)9(13)14-7-4-2-6(10)3-5-7;1-13-9(15-8(11)12)14-7-4-2-6(10)3-5-7;9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h4-8H,1-3H3,(H4,14,15,16,17);3,5-6H,4,7-8H2,1-2H3,(H4,12,13,14,15);3-6,14H,1-2H3,(H3,12,13);3-6H,1-2H3,(H4,12,13,14,15);2-5H,1H3,(H5,11,12,13,14,15);2-5H,1H3,(H5,11,12,13,14);2-5H,1H3,(H3,11,12)(H2,13,14);2-5H,1H3,(H5,11,12,13,14,15);1-4H,(H6,10,11,12,13,14)/b;;14-10-;;;;;;
InChIKeyJIACVFKTTVXSJD-AUEIERCZSA-N
XLogP9.52
TPSA783.54 Ų
H-Bond Donors24
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002082.88
LogP ≤ 59.52
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine with MolForge

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Related Compounds

1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-[amino-(3-chloroanilino)methylidene]-2-propan-2-ylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;N'-[N'-[2-(3-chlorophenyl)ethyl]carbamimidoyl]-3-methylbutanimidamide;2-[2-(3-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine;1-[N'-[(3-chlorophenyl)methyl]carbamimidoyl]-2-propan-2-ylguanidine;2-[(3-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine
CID 159109714
1-[amino-(3,4-dihydroxyanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(3,4-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(3,4-dihydroxyphenyl)-1-methylguanidine;1-carbamimidoyl-2-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-(3,4-dihydroxyphenyl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(3,4-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(3,4-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(3,4-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(3,4-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-(3,4-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
CID 157060559
1-carbamimidoyl-3-(2,3-dihydroxyphenyl)-1,3-dimethylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[(2,3-dihydroxyphenyl)methyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[(2,3-dihydroxyphenyl)methyl]guanidine;1-(diaminomethylidene)-3-[(2,3-dihydroxyphenyl)methyl]-2-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1-methylguanidine;2-[N'-(2,3-dihydroxyphenyl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-2-methylguanidine;1-(2,3-dihydroxyphenyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
CID 161313523
1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;hydrochloride
CID 159416962
2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine
CID 123842816
1-carbamimidoyl-3-[2-(2,3-dihydroxyphenyl)ethyl]-1,3-dimethylguanidine;1-carbamimidoyl-2-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;1-carbamimidoyl-3-[(2,3-dihydroxyphenyl)methyl]-1,3-dimethylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1,2-dimethylguanidine;1-(diaminomethylidene)-2-[2-(2,3-dihydroxyphenyl)ethyl]guanidine;1-(diaminomethylidene)-3-[2-(2,3-dihydroxyphenyl)ethyl]-2-methylguanidine;3-(diaminomethylidene)-1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methylguanidine;3-(diaminomethylidene)-1-[(2,3-dihydroxyphenyl)methyl]-1,2-dimethylguanidine;2-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine;1-[N'-[2-(2,3-dihydroxyphenyl)ethyl]carbamimidoyl]-2-methylguanidine;1-[2-(2,3-dihydroxyphenyl)ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;2-[N'-[(2,3-dihydroxyphenyl)methyl]carbamimidoyl]-1,1-dimethylguanidine;1-[(2,3-dihydroxyphenyl)methyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
CID 165109406
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-(2-phenylethyl)guanidine
CID 134125827
1-carbamimidoyl-1-methyl-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-methyl-3-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;3-(diaminomethylidene)-1-methyl-1-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(diaminomethylidene)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine;1-(N'-methylcarbamimidoyl)-2-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]guanidine
CID 159474120
1-carbamimidoyl-1,3-dimethyl-3-(thiophen-2-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-(thiophen-2-ylmethyl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(thiophen-2-ylmethyl)guanidine;1-(diaminomethylidene)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;3-(diaminomethylidene)-1-methyl-1-(thiophen-2-ylmethyl)guanidine;1-(diaminomethylidene)-2-(thiophen-2-ylmethyl)guanidine;2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-(N'-methylcarbamimidoyl)-2-(thiophen-2-ylmethyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-2-ylmethyl)guanidine
CID 160992279
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
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;triazine;hydrochloride
CID 23616709
2-[2-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]ethyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
CID 70500438

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine?
The IUPAC name of 1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine (CID 158922540) is 1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine.
What is the SMILES notation for 1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine?
The canonical SMILES for 1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine is C/N=C(/N=C(N)N)N(C)c1ccc(Cl)cc1.C/N=C(/N=C(N)N)Nc1ccc(Cl)cc1.C/N=C(\N)N=C(N)Nc1ccc(Cl)cc1.CC(C)/N=C(\N)N=C(N)N(C)c1ccc(Cl)cc1.CN(C)C(N)=N/C(N)=N/CCC1=CCC=C1.NC(N)=N/C(N)=N/c1ccc(Cl)cc1.[H]/N=C(\N(C)/C(N)=N/[H])N(C)c1ccc(Cl)cc1.[H]/N=C(\N)N(C)/C(N)=N/c1ccc(Cl)cc1.[H]/N=C(\N=C(N)N)N(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine?
The InChIKey is JIACVFKTTVXSJD-AUEIERCZSA-N. The full InChI is InChI=1S/C12H18ClN5.C11H19N5.2C10H14ClN5.4C9H12ClN5.C8H10ClN5/c1-8(2)16-11(14)17-12(15)18(3)10-6-4-9(13)5-7-10;1-16(2)11(13)15-10(12)14-8-7-9-5-3-4-6-9;1-15(10(14)16(2)9(12)13)8-5-3-7(11)4-6-8;1-14-10(15-9(12)13)16(2)8-5-3-7(11)4-6-8;1-13-8(11)15-9(12)14-7-4-2-6(10)3-5-7;1-15(9(13)14-8(11)12)7-4-2-6(10)3-5-7;1-15(8(11)12)9(13)14-7-4-2-6(10)3-5-7;1-13-9(15-8(11)12)14-7-4-2-6(10)3-5-7;9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h4-8H,1-3H3,(H4,14,15,16,17);3,5-6H,4,7-8H2,1-2H3,(H4,12,13,14,15);3-6,14H,1-2H3,(H3,12,13);3-6H,1-2H3,(H4,12,13,14,15);2-5H,1H3,(H5,11,12,13,14,15);2-5H,1H3,(H5,11,12,13,14);2-5H,1H3,(H3,11,12)(H2,13,14);2-5H,1H3,(H5,11,12,13,14,15);1-4H,(H6,10,11,12,13,14)/b;;14-10-;;;;;;.
What are the key properties of 1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine?
1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine has a molecular weight of 2082.88 g/mol, XLogP of 9.52, 12 rotatable bonds, 24 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(4-chloroanilino)methylidene]-2-methylguanidine;1-carbamimidoyl-3-(4-chlorophenyl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(4-chlorophenyl)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1,2-dimethylguanidine;2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-1-methylguanidine;1-(4-chlorophenyl)-3-(diaminomethylidene)-2-methylguanidine;1-(4-chlorophenyl)-1-methyl-2-(N'-propan-2-ylcarbamimidoyl)guanidine;2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine is sourced from PubChem (CID 158922540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).