2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)acetamide

C17H14ClN3O2S — CID 171985913

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NC1COc2ccc(Cl)cc21
InChIInChI=1S/C17H14ClN3O2S/c18-10-5-6-15-11(7-10)14(8-23-15)19-16(22)9-24-17-20-12-3-1-2-4-13(12)21-17/h1-7,14H,8-9H2,(H,19,22)(H,20,21)
InChIKeyIWPYNOKAUINDKC-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.56
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)acetamide (PubChem CID 171985913) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)acetamide
PubChem CID171985913
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NC1COc2ccc(Cl)cc21
InChIInChI=1S/C17H14ClN3O2S/c18-10-5-6-15-11(7-10)14(8-23-15)19-16(22)9-24-17-20-12-3-1-2-4-13(12)21-17/h1-7,14H,8-9H2,(H,19,22)(H,20,21)
InChIKeyIWPYNOKAUINDKC-UHFFFAOYSA-N
XLogP3.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 2651947
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
CID 2086667
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 1363976
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone
CID 43218263
N-tert-butyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2096673
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazol-2-amine
CID 108777152
2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 86913497
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide
CID 24567653
N-[(3S)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 94036621
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]ethanone
CID 25330706
2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide
CID 680651
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 2085290

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)acetamide (CID 171985913) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)acetamide is O=C(CSc1nc2ccccc2[nH]1)NC1COc2ccc(Cl)cc21.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)acetamide?
The InChIKey is IWPYNOKAUINDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c18-10-5-6-15-11(7-10)14(8-23-15)19-16(22)9-24-17-20-12-3-1-2-4-13(12)21-17/h1-7,14H,8-9H2,(H,19,22)(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)acetamide has a molecular weight of 359.84 g/mol, XLogP of 3.56, 4 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-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 171985913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).