2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide

C15H13Cl2N3O2S — CID 42894046

IUPAC2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CSc1nc2c(Cl)cc(Cl)cc2[nH]1)c1ccco1
InChIInChI=1S/C15H13Cl2N3O2S/c1-8(12-3-2-4-22-12)18-13(21)7-23-15-19-11-6-9(16)5-10(17)14(11)20-15/h2-6,8H,7H2,1H3,(H,18,21)(H,19,20)
InChIKeyYNDYCZXAIDEEHL-UHFFFAOYSA-N
MW370.26 g/mol
LogP4.43
Rot. Bonds5

About 2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide

2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide (PubChem CID 42894046) has the molecular formula C15H13Cl2N3O2S and a molecular weight of 370.26 g/mol. Its IUPAC name is 2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide
PubChem CID42894046
Molecular FormulaC15H13Cl2N3O2S
Molecular Weight370.26 g/mol
Exact Mass369.01
IUPAC Name2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CSc1nc2c(Cl)cc(Cl)cc2[nH]1)c1ccco1
InChIInChI=1S/C15H13Cl2N3O2S/c1-8(12-3-2-4-22-12)18-13(21)7-23-15-19-11-6-9(16)5-10(17)14(11)20-15/h2-6,8H,7H2,1H3,(H,18,21)(H,19,20)
InChIKeyYNDYCZXAIDEEHL-UHFFFAOYSA-N
XLogP4.43
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 41036687
2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 79527977
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 2085290
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 71905305
2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 25369728
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 39922095
2-(2-fluorophenyl)sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 95279801
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(1R)-1-(2-chlorophenyl)ethyl]acetamide
CID 7756256
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60594664
2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 79533347
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60594600

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide (CID 42894046) is 2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide is CC(NC(=O)CSc1nc2c(Cl)cc(Cl)cc2[nH]1)c1ccco1.
What is the InChIKey of 2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide?
The InChIKey is YNDYCZXAIDEEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2S/c1-8(12-3-2-4-22-12)18-13(21)7-23-15-19-11-6-9(16)5-10(17)14(11)20-15/h2-6,8H,7H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide?
2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide has a molecular weight of 370.26 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 42894046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).