4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide

C22H21N5O4S — CID 24514973

IUPAC4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1OC
InChIInChI=1S/C22H21N5O4S/c1-3-31-18-9-8-14(10-19(18)30-2)22(29)26-25-20(28)11-27-17-7-5-4-6-15(17)24-21(27)16-12-32-13-23-16/h4-10,12-13H,3,11H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWRSKOBWFNOXWGC-UHFFFAOYSA-N
MW451.51 g/mol
LogP3.03
Rot. Bonds7

About 4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide

4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide (PubChem CID 24514973) has the molecular formula C22H21N5O4S and a molecular weight of 451.51 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide
PubChem CID24514973
Molecular FormulaC22H21N5O4S
Molecular Weight451.51 g/mol
Exact Mass451.13
IUPAC Name4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1OC
InChIInChI=1S/C22H21N5O4S/c1-3-31-18-9-8-14(10-19(18)30-2)22(29)26-25-20(28)11-27-17-7-5-4-6-15(17)24-21(27)16-12-32-13-23-16/h4-10,12-13H,3,11H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWRSKOBWFNOXWGC-UHFFFAOYSA-N
XLogP3.03
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27445143
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24643942
3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide
CID 24583651
1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 17434138
N-[(4-methylphenyl)methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17489928
N-(3-propoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 38825215
N-(4-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24513606
N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17408127
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27769406
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27769405
N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 41388137
4-ethoxy-3-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 30860668

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide?
The IUPAC name of 4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide (CID 24514973) is 4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide?
The canonical SMILES for 4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide is CCOc1ccc(C(=O)NNC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide?
The InChIKey is WRSKOBWFNOXWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S/c1-3-31-18-9-8-14(10-19(18)30-2)22(29)26-25-20(28)11-27-17-7-5-4-6-15(17)24-21(27)16-12-32-13-23-16/h4-10,12-13H,3,11H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide?
4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide has a molecular weight of 451.51 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide is sourced from PubChem (CID 24514973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).