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

C23H28N4O5 — CID 24609588

IUPAC3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cn2c(=O)n(C)c3ccccc32)ccc1OCCC(C)C
InChIInChI=1S/C23H28N4O5/c1-15(2)11-12-32-19-10-9-16(13-20(19)31-4)22(29)25-24-21(28)14-27-18-8-6-5-7-17(18)26(3)23(27)30/h5-10,13,15H,11-12,14H2,1-4H3,(H,24,28)(H,25,29)
InChIKeySBYUBEPCFDWXFL-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.23
Rot. Bonds8

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

3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide (PubChem CID 24609588) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide
PubChem CID24609588
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cn2c(=O)n(C)c3ccccc32)ccc1OCCC(C)C
InChIInChI=1S/C23H28N4O5/c1-15(2)11-12-32-19-10-9-16(13-20(19)31-4)22(29)25-24-21(28)14-27-18-8-6-5-7-17(18)26(3)23(27)30/h5-10,13,15H,11-12,14H2,1-4H3,(H,24,28)(H,25,29)
InChIKeySBYUBEPCFDWXFL-UHFFFAOYSA-N
XLogP2.23
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.23
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'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide
CID 24624494
N'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 34559924
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
CID 55789038
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
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]oxolane-2-carbohydrazide
CID 43006948
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877
3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide
CID 4833062
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

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide?
The IUPAC name of 3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide (CID 24609588) is 3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for 3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide?
The canonical SMILES for 3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide is COc1cc(C(=O)NNC(=O)Cn2c(=O)n(C)c3ccccc32)ccc1OCCC(C)C.
What is the InChIKey of 3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide?
The InChIKey is SBYUBEPCFDWXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-15(2)11-12-32-19-10-9-16(13-20(19)31-4)22(29)25-24-21(28)14-27-18-8-6-5-7-17(18)26(3)23(27)30/h5-10,13,15H,11-12,14H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of 3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide?
3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide has a molecular weight of 440.50 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 24609588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).