N-[(2-chlorophenyl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxamide

C19H16Cl2N4OS — CID 2821345

IUPACN-[(2-chlorophenyl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxamide
SMILESCn1c(C(=O)NN=Cc2ccccc2Cl)cnc1SCc1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N4OS/c1-25-17(18(26)24-23-10-14-4-2-3-5-16(14)21)11-22-19(25)27-12-13-6-8-15(20)9-7-13/h2-11H,12H2,1H3,(H,24,26)
InChIKeyIRSBTZBZAVKOSK-UHFFFAOYSA-N
MW419.34 g/mol
LogP4.78
Rot. Bonds6

About N-[(2-chlorophenyl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxamide

N-[(2-chlorophenyl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxamide (PubChem CID 2821345) has the molecular formula C19H16Cl2N4OS and a molecular weight of 419.34 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxamide
PubChem CID2821345
Molecular FormulaC19H16Cl2N4OS
Molecular Weight419.34 g/mol
Exact Mass418.04
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxamide
SMILESCn1c(C(=O)NN=Cc2ccccc2Cl)cnc1SCc1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N4OS/c1-25-17(18(26)24-23-10-14-4-2-3-5-16(14)21)11-22-19(25)27-12-13-6-8-15(20)9-7-13/h2-11H,12H2,1H3,(H,24,26)
InChIKeyIRSBTZBZAVKOSK-UHFFFAOYSA-N
XLogP4.78
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 75087398
N-[(Z)-(2-bromophenyl)methylideneamino]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 94837906
N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 43879535
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 28588974
1-[(4-chlorophenyl)methyl]-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-3-nitropyrazole-5-carboxamide
CID 39937337
N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 3705620
2-[2-[[[2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 2140938
2-chloro-N-[(1R)-1-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide
CID 124549961
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2-chlorophenyl)methylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
CID 2047083
5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide
CID 932581
N-[(Z)-(2-chlorophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523599

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxamide (CID 2821345) is N-[(2-chlorophenyl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxamide is Cn1c(C(=O)NN=Cc2ccccc2Cl)cnc1SCc1ccc(Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxamide?
The InChIKey is IRSBTZBZAVKOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4OS/c1-25-17(18(26)24-23-10-14-4-2-3-5-16(14)21)11-22-19(25)27-12-13-6-8-15(20)9-7-13/h2-11H,12H2,1H3,(H,24,26).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxamide?
N-[(2-chlorophenyl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxamide has a molecular weight of 419.34 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 2821345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).