N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide

C20H15BrN4O3S — CID 126193344

IUPACN-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C20H15BrN4O3S/c1-27-17-8-6-12(21)10-14(17)19(26)25-22-11-13-7-9-18(28-13)29-20-23-15-4-2-3-5-16(15)24-20/h2-11H,1H3,(H,23,24)(H,25,26)/b22-11-
InChIKeyLZLKGSBKOAPTGA-JJFYIABZSA-N
MW471.34 g/mol
LogP4.84
Rot. Bonds6

About N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide

N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide (PubChem CID 126193344) has the molecular formula C20H15BrN4O3S and a molecular weight of 471.34 g/mol. Its IUPAC name is N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide
PubChem CID126193344
Molecular FormulaC20H15BrN4O3S
Molecular Weight471.34 g/mol
Exact Mass470.00
IUPAC NameN-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C20H15BrN4O3S/c1-27-17-8-6-12(21)10-14(17)19(26)25-22-11-13-7-9-18(28-13)29-20-23-15-4-2-3-5-16(15)24-20/h2-11H,1H3,(H,23,24)(H,25,26)/b22-11-
InChIKeyLZLKGSBKOAPTGA-JJFYIABZSA-N
XLogP4.84
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 54.84
H-Bond Donors ≤ 52
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

N-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 3525797
N-[(E)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-hydroxybenzamide
CID 56688169
N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide
CID 126189660
N-[(E)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-4-cyano-2-fluorobenzamide;hydrochloride
CID 163326645
N-[(E)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-(2-chlorophenoxy)acetamide
CID 126191552
5-bromo-N-[(Z)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 126027660
3-methoxy-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide
CID 6059252
3-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-6-bromo-2-propylquinazolin-4-one
CID 126331352
N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide
CID 146022195
5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136815793
5-bromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide
CID 137227559
5-bromo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 46498112

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide?
The IUPAC name of N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide (CID 126193344) is N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide.
What is the SMILES notation for N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide?
The canonical SMILES for N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1.
What is the InChIKey of N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide?
The InChIKey is LZLKGSBKOAPTGA-JJFYIABZSA-N. The full InChI is InChI=1S/C20H15BrN4O3S/c1-27-17-8-6-12(21)10-14(17)19(26)25-22-11-13-7-9-18(28-13)29-20-23-15-4-2-3-5-16(15)24-20/h2-11H,1H3,(H,23,24)(H,25,26)/b22-11-.
What are the key properties of N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide?
N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide has a molecular weight of 471.34 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-bromo-2-methoxybenzamide is sourced from PubChem (CID 126193344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).