1-(3,4-dichlorophenyl)-N-[[2-[N-methoxy-C-(1-methylimidazol-2-yl)carbonimidoyl]phenyl]methylideneamino]ethanimine

C21H19Cl2N5O — CID 139888138

IUPAC1-(3,4-dichlorophenyl)-N-[[2-[N-methoxy-C-(1-methylimidazol-2-yl)carbonimidoyl]phenyl]methylideneamino]ethanimine
SMILESCON=C(c1ccccc1C=NN=C(C)c1ccc(Cl)c(Cl)c1)c1nccn1C
InChIInChI=1S/C21H19Cl2N5O/c1-14(15-8-9-18(22)19(23)12-15)26-25-13-16-6-4-5-7-17(16)20(27-29-3)21-24-10-11-28(21)2/h4-13H,1-3H3
InChIKeyLEPGQQUCWXKTBY-UHFFFAOYSA-N
MW428.32 g/mol
LogP4.97
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-[[2-[N-methoxy-C-(1-methylimidazol-2-yl)carbonimidoyl]phenyl]methylideneamino]ethanimine

1-(3,4-dichlorophenyl)-N-[[2-[N-methoxy-C-(1-methylimidazol-2-yl)carbonimidoyl]phenyl]methylideneamino]ethanimine (PubChem CID 139888138) has the molecular formula C21H19Cl2N5O and a molecular weight of 428.32 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[[2-[N-methoxy-C-(1-methylimidazol-2-yl)carbonimidoyl]phenyl]methylideneamino]ethanimine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[[2-[N-methoxy-C-(1-methylimidazol-2-yl)carbonimidoyl]phenyl]methylideneamino]ethanimine
PubChem CID139888138
Molecular FormulaC21H19Cl2N5O
Molecular Weight428.32 g/mol
Exact Mass427.10
IUPAC Name1-(3,4-dichlorophenyl)-N-[[2-[N-methoxy-C-(1-methylimidazol-2-yl)carbonimidoyl]phenyl]methylideneamino]ethanimine
SMILESCON=C(c1ccccc1C=NN=C(C)c1ccc(Cl)c(Cl)c1)c1nccn1C
InChIInChI=1S/C21H19Cl2N5O/c1-14(15-8-9-18(22)19(23)12-15)26-25-13-16-6-4-5-7-17(16)20(27-29-3)21-24-10-11-28(21)2/h4-13H,1-3H3
InChIKeyLEPGQQUCWXKTBY-UHFFFAOYSA-N
XLogP4.97
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-methoxy-1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)methanimine
CID 18713757
(E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine
CID 52540048
(E)-N-[(E)-[2-[(E)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxycarbonimidoyl]phenyl]methylideneamino]-1-[3-(trifluoromethyl)phenyl]ethanimine
CID 22091285
N-[[2-[C-(4,5-dihydro-1,2-oxazol-3-yl)-N-methoxycarbonimidoyl]phenyl]methylideneamino]-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 139785194
1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine
CID 2827019
(E)-N-[(E)-(1-benzylimidazol-2-yl)methylideneamino]-1-(4-chlorophenyl)ethanimine
CID 5392317
(E)-3-(1-methylimidazol-2-yl)-3-phenylprop-2-enenitrile
CID 102421833
methyl N-[[2-chloro-5-[(E)-N-[(E)-(2,4-dichloro-3-pyridinyl)methylideneamino]-C-methylcarbonimidoyl]phenyl]methyl]carbamate
CID 143010507
methyl (2E)-2-methoxyimino-2-(1-methylimidazol-2-yl)acetate
CID 12580317
(4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide
CID 87388083
[(Z)-1-(3,4-dichlorophenyl)ethylideneamino] 2-bromobenzoate
CID 6084821
2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 39951792

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[[2-[N-methoxy-C-(1-methylimidazol-2-yl)carbonimidoyl]phenyl]methylideneamino]ethanimine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[[2-[N-methoxy-C-(1-methylimidazol-2-yl)carbonimidoyl]phenyl]methylideneamino]ethanimine (CID 139888138) is 1-(3,4-dichlorophenyl)-N-[[2-[N-methoxy-C-(1-methylimidazol-2-yl)carbonimidoyl]phenyl]methylideneamino]ethanimine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[[2-[N-methoxy-C-(1-methylimidazol-2-yl)carbonimidoyl]phenyl]methylideneamino]ethanimine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[[2-[N-methoxy-C-(1-methylimidazol-2-yl)carbonimidoyl]phenyl]methylideneamino]ethanimine is CON=C(c1ccccc1C=NN=C(C)c1ccc(Cl)c(Cl)c1)c1nccn1C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[[2-[N-methoxy-C-(1-methylimidazol-2-yl)carbonimidoyl]phenyl]methylideneamino]ethanimine?
The InChIKey is LEPGQQUCWXKTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O/c1-14(15-8-9-18(22)19(23)12-15)26-25-13-16-6-4-5-7-17(16)20(27-29-3)21-24-10-11-28(21)2/h4-13H,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[[2-[N-methoxy-C-(1-methylimidazol-2-yl)carbonimidoyl]phenyl]methylideneamino]ethanimine?
1-(3,4-dichlorophenyl)-N-[[2-[N-methoxy-C-(1-methylimidazol-2-yl)carbonimidoyl]phenyl]methylideneamino]ethanimine has a molecular weight of 428.32 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[[2-[N-methoxy-C-(1-methylimidazol-2-yl)carbonimidoyl]phenyl]methylideneamino]ethanimine is sourced from PubChem (CID 139888138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).