3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide

C20H22N4O3 — CID 36848593

IUPAC3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)CCn2cnc3ccccc32)c1
InChIInChI=1S/C20H22N4O3/c1-14-9-15(2)11-16(10-14)27-12-20(26)23-22-19(25)7-8-24-13-21-17-5-3-4-6-18(17)24/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyZUZDNEMSZHVWSB-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.27
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide

3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide (PubChem CID 36848593) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide
PubChem CID36848593
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)CCn2cnc3ccccc32)c1
InChIInChI=1S/C20H22N4O3/c1-14-9-15(2)11-16(10-14)27-12-20(26)23-22-19(25)7-8-24-13-21-17-5-3-4-6-18(17)24/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyZUZDNEMSZHVWSB-UHFFFAOYSA-N
XLogP2.27
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63819900
3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 25349690
3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 34166297
2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid
CID 63914686
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide
CID 134024169
methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736
N-(5-amino-2-fluorophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16785328
3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 36842808
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide
CID 131919105

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide?
The IUPAC name of 3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide (CID 36848593) is 3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide is Cc1cc(C)cc(OCC(=O)NNC(=O)CCn2cnc3ccccc32)c1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide?
The InChIKey is ZUZDNEMSZHVWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-9-15(2)11-16(10-14)27-12-20(26)23-22-19(25)7-8-24-13-21-17-5-3-4-6-18(17)24/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide?
3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide has a molecular weight of 366.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 36848593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).