2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide

C16H13IN4OS — CID 1202097

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccccc1I
InChIInChI=1S/C16H13IN4OS/c17-12-6-2-1-5-11(12)9-18-21-15(22)10-23-16-19-13-7-3-4-8-14(13)20-16/h1-9H,10H2,(H,19,20)(H,21,22)
InChIKeyFGQXTWLEPLCEON-UHFFFAOYSA-N
MW436.28 g/mol
LogP3.41
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide (PubChem CID 1202097) has the molecular formula C16H13IN4OS and a molecular weight of 436.28 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide
PubChem CID1202097
Molecular FormulaC16H13IN4OS
Molecular Weight436.28 g/mol
Exact Mass435.99
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccccc1I
InChIInChI=1S/C16H13IN4OS/c17-12-6-2-1-5-11(12)9-18-21-15(22)10-23-16-19-13-7-3-4-8-14(13)20-16/h1-9H,10H2,(H,19,20)(H,21,22)
InChIKeyFGQXTWLEPLCEON-UHFFFAOYSA-N
XLogP3.41
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.28
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 696957
2-(1H-benzimidazol-2-ylsulfanyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 1242863
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 1363976
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1365966
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5399990
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide
CID 6899123
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 46300445
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 137020883
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6865120
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[2-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 46300550
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]acetamide
CID 136786937
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 110509319

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide (CID 1202097) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide is O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccccc1I.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide?
The InChIKey is FGQXTWLEPLCEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN4OS/c17-12-6-2-1-5-11(12)9-18-21-15(22)10-23-16-19-13-7-3-4-8-14(13)20-16/h1-9H,10H2,(H,19,20)(H,21,22).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide has a molecular weight of 436.28 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide is sourced from PubChem (CID 1202097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).