N-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide

C20H25N3O2S — CID 42891361

IUPACN-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCC(C)CCn1c(SCC(=O)NC(C)c2ccco2)nc2ccccc21
InChIInChI=1S/C20H25N3O2S/c1-14(2)10-11-23-17-8-5-4-7-16(17)22-20(23)26-13-19(24)21-15(3)18-9-6-12-25-18/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,21,24)
InChIKeyDPJMUFJRKVUSBG-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.64
Rot. Bonds8

About N-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide

N-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 42891361) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID42891361
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCC(C)CCn1c(SCC(=O)NC(C)c2ccco2)nc2ccccc21
InChIInChI=1S/C20H25N3O2S/c1-14(2)10-11-23-17-8-5-4-7-16(17)22-20(23)26-13-19(24)21-15(3)18-9-6-12-25-18/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,21,24)
InChIKeyDPJMUFJRKVUSBG-UHFFFAOYSA-N
XLogP4.64
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide (CID 42891361) is N-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide is CC(C)CCn1c(SCC(=O)NC(C)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is DPJMUFJRKVUSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-14(2)10-11-23-17-8-5-4-7-16(17)22-20(23)26-13-19(24)21-15(3)18-9-6-12-25-18/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,21,24).
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide?
N-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 371.51 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 42891361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).