N'-[N'-benzyl-N-[(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]-N,N-dimethylmethanimidamide

C18H19Cl2N5 — CID 70616101

IUPACN'-[N'-benzyl-N-[(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=N/C(=N\Cc1ccccc1)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H19Cl2N5/c1-25(2)13-22-18(21-11-14-7-4-3-5-8-14)24-23-12-15-16(19)9-6-10-17(15)20/h3-10,12-13H,11H2,1-2H3,(H,21,24)
InChIKeyLWRRYWSSYIBWSZ-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.06
Rot. Bonds5

About N'-[N'-benzyl-N-[(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]-N,N-dimethylmethanimidamide

N'-[N'-benzyl-N-[(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]-N,N-dimethylmethanimidamide (PubChem CID 70616101) has the molecular formula C18H19Cl2N5 and a molecular weight of 376.29 g/mol. Its IUPAC name is N'-[N'-benzyl-N-[(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[N'-benzyl-N-[(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]-N,N-dimethylmethanimidamide
PubChem CID70616101
Molecular FormulaC18H19Cl2N5
Molecular Weight376.29 g/mol
Exact Mass375.10
IUPAC NameN'-[N'-benzyl-N-[(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=N/C(=N\Cc1ccccc1)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H19Cl2N5/c1-25(2)13-22-18(21-11-14-7-4-3-5-8-14)24-23-12-15-16(19)9-6-10-17(15)20/h3-10,12-13H,11H2,1-2H3,(H,21,24)
InChIKeyLWRRYWSSYIBWSZ-UHFFFAOYSA-N
XLogP4.06
TPSA52.35 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[N'-benzyl-N-[(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[N'-benzyl-N-[(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]-N,N-dimethylmethanimidamide (CID 70616101) is N'-[N'-benzyl-N-[(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[N'-benzyl-N-[(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[N'-benzyl-N-[(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]-N,N-dimethylmethanimidamide is CN(C)C=N/C(=N\Cc1ccccc1)NN=Cc1c(Cl)cccc1Cl.
What is the InChIKey of N'-[N'-benzyl-N-[(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]-N,N-dimethylmethanimidamide?
The InChIKey is LWRRYWSSYIBWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5/c1-25(2)13-22-18(21-11-14-7-4-3-5-8-14)24-23-12-15-16(19)9-6-10-17(15)20/h3-10,12-13H,11H2,1-2H3,(H,21,24).
What are the key properties of N'-[N'-benzyl-N-[(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]-N,N-dimethylmethanimidamide?
N'-[N'-benzyl-N-[(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]-N,N-dimethylmethanimidamide has a molecular weight of 376.29 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-benzyl-N-[(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 70616101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).