2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide

C17H16IN3OS — CID 18279761

IUPAC2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccc(I)cc2)nc2ccccc21
InChIInChI=1S/C17H16IN3OS/c1-2-21-15-6-4-3-5-14(15)20-17(21)23-11-16(22)19-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H,19,22)
InChIKeyUAQBNJRASLYSLR-UHFFFAOYSA-N
MW437.31 g/mol
LogP4.39
Rot. Bonds5

About 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide

2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide (PubChem CID 18279761) has the molecular formula C17H16IN3OS and a molecular weight of 437.31 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide
PubChem CID18279761
Molecular FormulaC17H16IN3OS
Molecular Weight437.31 g/mol
Exact Mass437.01
IUPAC Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccc(I)cc2)nc2ccccc21
InChIInChI=1S/C17H16IN3OS/c1-2-21-15-6-4-3-5-14(15)20-17(21)23-11-16(22)19-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H,19,22)
InChIKeyUAQBNJRASLYSLR-UHFFFAOYSA-N
XLogP4.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171496
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 55305652
N-(3,4-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171467
N-(3,5-dimethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 1142140
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16500021
N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774742
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 112765195
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
N-(2,6-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171502
N-(2,6-difluorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7246603
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide
CID 55979578
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide (CID 18279761) is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide is CCn1c(SCC(=O)Nc2ccc(I)cc2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide?
The InChIKey is UAQBNJRASLYSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16IN3OS/c1-2-21-15-6-4-3-5-14(15)20-17(21)23-11-16(22)19-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H,19,22).
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide?
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide has a molecular weight of 437.31 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 18279761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).