2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide

C19H20N4O2S — CID 94844743

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
SMILESCCOc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H20N4O2S/c1-3-25-15-10-8-14(9-11-15)13(2)22-23-18(24)12-26-19-20-16-6-4-5-7-17(16)21-19/h4-11H,3,12H2,1-2H3,(H,20,21)(H,23,24)/b22-13-
InChIKeyKTCLWHNCOGCPQP-XKZIYDEJSA-N
MW368.46 g/mol
LogP3.59
Rot. Bonds7

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide (PubChem CID 94844743) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
PubChem CID94844743
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
SMILESCCOc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H20N4O2S/c1-3-25-15-10-8-14(9-11-15)13(2)22-23-18(24)12-26-19-20-16-6-4-5-7-17(16)21-19/h4-11H,3,12H2,1-2H3,(H,20,21)(H,23,24)/b22-13-
InChIKeyKTCLWHNCOGCPQP-XKZIYDEJSA-N
XLogP3.59
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5391782
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435
propan-2-yl 4-[(E)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate
CID 46300570
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6864653
N-(3-acetylphenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1205153
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]acetamide
CID 39756935
2-N',6-N'-bis[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]naphthalene-2,6-dicarbohydrazide
CID 17325057
3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide
CID 4304112
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5421634
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 616694

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide (CID 94844743) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide is CCOc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide?
The InChIKey is KTCLWHNCOGCPQP-XKZIYDEJSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-3-25-15-10-8-14(9-11-15)13(2)22-23-18(24)12-26-19-20-16-6-4-5-7-17(16)21-19/h4-11H,3,12H2,1-2H3,(H,20,21)(H,23,24)/b22-13-.
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide has a molecular weight of 368.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 94844743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).