N-amino-2,4-dichloro-N'-(2-chlorophenyl)benzenecarboximidamide;2-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole

C37H25Cl6N9O2 — CID 160872419

IUPACN-amino-2,4-dichloro-N'-(2-chlorophenyl)benzenecarboximidamide;2-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(/C=C/c3nnc(-c4ccc(Cl)cc4Cl)n3-c3ccccc3Cl)o2)ccn1.NN/C(=N\c1ccccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H15Cl3N6O2.C13H10Cl3N3/c1-34-22-12-14(10-11-28-22)24-32-30-21(35-24)9-8-20-29-31-23(16-7-6-15(25)13-18(16)27)33(20)19-5-3-2-4-17(19)26;14-8-5-6-9(11(16)7-8)13(19-17)18-12-4-2-1-3-10(12)15/h2-13H,1H3;1-7H,17H2,(H,18,19)/b9-8+;
InChIKeySLXUMFSCXBBIPA-HRNDJLQDSA-N
MW840.39 g/mol
LogP10.71
Rot. Bonds8

About N-amino-2,4-dichloro-N'-(2-chlorophenyl)benzenecarboximidamide;2-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole

N-amino-2,4-dichloro-N'-(2-chlorophenyl)benzenecarboximidamide;2-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole (PubChem CID 160872419) has the molecular formula C37H25Cl6N9O2 and a molecular weight of 840.39 g/mol. Its IUPAC name is N-amino-2,4-dichloro-N'-(2-chlorophenyl)benzenecarboximidamide;2-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound NameN-amino-2,4-dichloro-N'-(2-chlorophenyl)benzenecarboximidamide;2-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole
PubChem CID160872419
Molecular FormulaC37H25Cl6N9O2
Molecular Weight840.39 g/mol
Exact Mass837.03
IUPAC NameN-amino-2,4-dichloro-N'-(2-chlorophenyl)benzenecarboximidamide;2-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(/C=C/c3nnc(-c4ccc(Cl)cc4Cl)n3-c3ccccc3Cl)o2)ccn1.NN/C(=N\c1ccccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H15Cl3N6O2.C13H10Cl3N3/c1-34-22-12-14(10-11-28-22)24-32-30-21(35-24)9-8-20-29-31-23(16-7-6-15(25)13-18(16)27)33(20)19-5-3-2-4-17(19)26;14-8-5-6-9(11(16)7-8)13(19-17)18-12-4-2-1-3-10(12)15/h2-13H,1H3;1-7H,17H2,(H,18,19)/b9-8+;
InChIKeySLXUMFSCXBBIPA-HRNDJLQDSA-N
XLogP10.71
TPSA142.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.39
LogP ≤ 510.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-amino-2,4-dichloro-N'-(2-chlorophenyl)benzenecarboximidamide;2-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole
CID 57378507
2-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole
CID 57378503
2-[2-[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]ethynyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole
CID 57378973
4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 57378623
4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 57378742
2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole
CID 57377649
4-[5-[2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 67960135
N'-amino-N-(3-aminooxybuta-1,3-dien-2-yl)-N-(2-chlorophenyl)-3-[5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazol-2-yl]prop-2-ynimidamide
CID 88535570
1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide
CID 171779048
4-(2,6-dichlorophenyl)-2-methoxypyridine
CID 118852441
2-(2,4-dichlorophenyl)-5-(2-naphthalen-1-ylethenyl)-1,3,4-oxadiazole
CID 4662305
4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 57377545

Frequently Asked Questions

What is the IUPAC name of N-amino-2,4-dichloro-N'-(2-chlorophenyl)benzenecarboximidamide;2-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of N-amino-2,4-dichloro-N'-(2-chlorophenyl)benzenecarboximidamide;2-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole (CID 160872419) is N-amino-2,4-dichloro-N'-(2-chlorophenyl)benzenecarboximidamide;2-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for N-amino-2,4-dichloro-N'-(2-chlorophenyl)benzenecarboximidamide;2-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for N-amino-2,4-dichloro-N'-(2-chlorophenyl)benzenecarboximidamide;2-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole is COc1cc(-c2nnc(/C=C/c3nnc(-c4ccc(Cl)cc4Cl)n3-c3ccccc3Cl)o2)ccn1.NN/C(=N\c1ccccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-amino-2,4-dichloro-N'-(2-chlorophenyl)benzenecarboximidamide;2-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is SLXUMFSCXBBIPA-HRNDJLQDSA-N. The full InChI is InChI=1S/C24H15Cl3N6O2.C13H10Cl3N3/c1-34-22-12-14(10-11-28-22)24-32-30-21(35-24)9-8-20-29-31-23(16-7-6-15(25)13-18(16)27)33(20)19-5-3-2-4-17(19)26;14-8-5-6-9(11(16)7-8)13(19-17)18-12-4-2-1-3-10(12)15/h2-13H,1H3;1-7H,17H2,(H,18,19)/b9-8+;.
What are the key properties of N-amino-2,4-dichloro-N'-(2-chlorophenyl)benzenecarboximidamide;2-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole?
N-amino-2,4-dichloro-N'-(2-chlorophenyl)benzenecarboximidamide;2-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 840.39 g/mol, XLogP of 10.71, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2,4-dichloro-N'-(2-chlorophenyl)benzenecarboximidamide;2-[(E)-2-[4-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 160872419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).