N'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide

C24H30N4O5 — CID 34559924

IUPACN'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
SMILESCCn1c(=O)n(CC(=O)NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)c2ccccc21
InChIInChI=1S/C24H30N4O5/c1-5-27-18-8-6-7-9-19(18)28(24(27)31)15-22(29)25-26-23(30)17-10-11-20(21(14-17)32-4)33-13-12-16(2)3/h6-11,14,16H,5,12-13,15H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyVALIHIWFIVARNK-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.72
Rot. Bonds9

About N'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide

N'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide (PubChem CID 34559924) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is N'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
PubChem CID34559924
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC NameN'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
SMILESCCn1c(=O)n(CC(=O)NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)c2ccccc21
InChIInChI=1S/C24H30N4O5/c1-5-27-18-8-6-7-9-19(18)28(24(27)31)15-22(29)25-26-23(30)17-10-11-20(21(14-17)32-4)33-13-12-16(2)3/h6-11,14,16H,5,12-13,15H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyVALIHIWFIVARNK-UHFFFAOYSA-N
XLogP2.72
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide
CID 24609588
3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide
CID 24624494
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
CID 55789038
3-methoxy-4-(3-methylbutoxy)-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
CID 24553723
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877
3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide
CID 24583651
1-(2-fluorophenyl)-3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]thiourea
CID 8788648
N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 46547389
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-methylthiophene-2-carbohydrazide
CID 30882214
N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 72689752

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
The IUPAC name of N'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide (CID 34559924) is N'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
The canonical SMILES for N'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide is CCn1c(=O)n(CC(=O)NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)c2ccccc21.
What is the InChIKey of N'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
The InChIKey is VALIHIWFIVARNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-5-27-18-8-6-7-9-19(18)28(24(27)31)15-22(29)25-26-23(30)17-10-11-20(21(14-17)32-4)33-13-12-16(2)3/h6-11,14,16H,5,12-13,15H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of N'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
N'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide has a molecular weight of 454.53 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide is sourced from PubChem (CID 34559924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).