2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide

C19H21N3O3S — CID 1081701

IUPAC2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccc(OCC)cc3[nH]2)cc1
InChIInChI=1S/C19H21N3O3S/c1-3-24-14-7-5-13(6-8-14)20-18(23)12-26-19-21-16-10-9-15(25-4-2)11-17(16)22-19/h5-11H,3-4,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyLRQGTVSRGCMWQY-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.09
Rot. Bonds8

About 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide

2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 1081701) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
PubChem CID1081701
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccc(OCC)cc3[nH]2)cc1
InChIInChI=1S/C19H21N3O3S/c1-3-24-14-7-5-13(6-8-14)20-18(23)12-26-19-21-16-10-9-15(25-4-2)11-17(16)22-19/h5-11H,3-4,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyLRQGTVSRGCMWQY-UHFFFAOYSA-N
XLogP4.09
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide (CID 1081701) is 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2nc3ccc(OCC)cc3[nH]2)cc1.
What is the InChIKey of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is LRQGTVSRGCMWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-24-14-7-5-13(6-8-14)20-18(23)12-26-19-21-16-10-9-15(25-4-2)11-17(16)22-19/h5-11H,3-4,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 371.46 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 1081701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).