N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-[(2-chlorophenyl)methyl]methanimidamide

C12H10ClN5 — CID 10901346

IUPACN-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-[(2-chlorophenyl)methyl]methanimidamide
SMILESN#C/C(N)=C(\C#N)N/C=N/Cc1ccccc1Cl
InChIInChI=1S/C12H10ClN5/c13-10-4-2-1-3-9(10)7-17-8-18-12(6-15)11(16)5-14/h1-4,8H,7,16H2,(H,17,18)/b12-11-
InChIKeyCTEOKXIVBSZBDE-QXMHVHEDSA-N
MW259.70 g/mol
LogP1.68
Rot. Bonds4

About N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-[(2-chlorophenyl)methyl]methanimidamide

N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-[(2-chlorophenyl)methyl]methanimidamide (PubChem CID 10901346) has the molecular formula C12H10ClN5 and a molecular weight of 259.70 g/mol. Its IUPAC name is N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-[(2-chlorophenyl)methyl]methanimidamide.

Molecular Properties

Compound NameN-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-[(2-chlorophenyl)methyl]methanimidamide
PubChem CID10901346
Molecular FormulaC12H10ClN5
Molecular Weight259.70 g/mol
Exact Mass259.06
IUPAC NameN-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-[(2-chlorophenyl)methyl]methanimidamide
SMILESN#C/C(N)=C(\C#N)N/C=N/Cc1ccccc1Cl
InChIInChI=1S/C12H10ClN5/c13-10-4-2-1-3-9(10)7-17-8-18-12(6-15)11(16)5-14/h1-4,8H,7,16H2,(H,17,18)/b12-11-
InChIKeyCTEOKXIVBSZBDE-QXMHVHEDSA-N
XLogP1.68
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[amino(cyclohexyl)methyl]-N'-[(2-chlorophenyl)methyl]methanimidamide
CID 142127663
2-[(2-chlorophenyl)methyl]-1-ethylguanidine
CID 62364154
methyl N'-[(2-chlorophenyl)methyl]-N-cyanocarbamimidothioate
CID 18770699
N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide
CID 63174432
2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine
CID 62364373
2-(2-chlorophenyl)-N'-[2-(4-cyanophenoxy)ethoxy]ethanimidamide
CID 76870629
2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid
CID 107440102
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
6-[(2-chlorophenyl)methyldiazenyl]pyridine-3-carbonitrile
CID 91392309
2-[(2-chlorophenyl)methyliminomethyl]-4-nitrophenolate
CID 7606291
3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044130
3-[(2-chlorophenyl)methylsulfanyl]butanenitrile
CID 103288480

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-[(2-chlorophenyl)methyl]methanimidamide?
The IUPAC name of N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-[(2-chlorophenyl)methyl]methanimidamide (CID 10901346) is N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-[(2-chlorophenyl)methyl]methanimidamide.
What is the SMILES notation for N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-[(2-chlorophenyl)methyl]methanimidamide?
The canonical SMILES for N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-[(2-chlorophenyl)methyl]methanimidamide is N#C/C(N)=C(\C#N)N/C=N/Cc1ccccc1Cl.
What is the InChIKey of N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-[(2-chlorophenyl)methyl]methanimidamide?
The InChIKey is CTEOKXIVBSZBDE-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H10ClN5/c13-10-4-2-1-3-9(10)7-17-8-18-12(6-15)11(16)5-14/h1-4,8H,7,16H2,(H,17,18)/b12-11-.
What are the key properties of N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-[(2-chlorophenyl)methyl]methanimidamide?
N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-[(2-chlorophenyl)methyl]methanimidamide has a molecular weight of 259.70 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-[(2-chlorophenyl)methyl]methanimidamide is sourced from PubChem (CID 10901346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).