N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfanylacetamide

C22H19N3O2S — CID 18586105

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C22H19N3O2S/c1-27-17-10-12-18(13-11-17)28-14-21(26)23-16-8-6-15(7-9-16)22-24-19-4-2-3-5-20(19)25-22/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyORJFQUJKYCJSMA-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.97
Rot. Bonds6

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfanylacetamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 18586105) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID18586105
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C22H19N3O2S/c1-27-17-10-12-18(13-11-17)28-14-21(26)23-16-8-6-15(7-9-16)22-24-19-4-2-3-5-20(19)25-22/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyORJFQUJKYCJSMA-UHFFFAOYSA-N
XLogP4.97
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfanylacetamide (CID 18586105) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is ORJFQUJKYCJSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-27-17-10-12-18(13-11-17)28-14-21(26)23-16-8-6-15(7-9-16)22-24-19-4-2-3-5-20(19)25-22/h2-13H,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfanylacetamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 389.48 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 18586105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).