4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide

C21H22N4O3S — CID 9020841

IUPAC4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)CSc2nccn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H22N4O3S/c1-3-15-4-6-16(7-5-15)20(27)24-23-19(26)14-29-21-22-12-13-25(21)17-8-10-18(28-2)11-9-17/h4-13H,3,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyLQUURUZVUBHGHY-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.00
Rot. Bonds7

About 4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide

4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide (PubChem CID 9020841) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
PubChem CID9020841
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)CSc2nccn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H22N4O3S/c1-3-15-4-6-16(7-5-15)20(27)24-23-19(26)14-29-21-22-12-13-25(21)17-8-10-18(28-2)11-9-17/h4-13H,3,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyLQUURUZVUBHGHY-UHFFFAOYSA-N
XLogP3.00
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoate
CID 46517108
N'-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 51431650
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 18163998
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4120310
N-(4-bromophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4119542
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide
CID 41434287
4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 46811521
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18161950
N'-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]-4-methoxybenzohydrazide
CID 864277
4-methoxy-N'-[2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
CID 3144957
N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide
CID 30366047

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide (CID 9020841) is 4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide is CCc1ccc(C(=O)NNC(=O)CSc2nccn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide?
The InChIKey is LQUURUZVUBHGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-3-15-4-6-16(7-5-15)20(27)24-23-19(26)14-29-21-22-12-13-25(21)17-8-10-18(28-2)11-9-17/h4-13H,3,14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide?
4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide has a molecular weight of 410.50 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 9020841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).