4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide

C22H26N4O3 — CID 24634971

IUPAC4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide
SMILESCn1c(=O)n(CCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21
InChIInChI=1S/C22H26N4O3/c1-22(2,3)16-11-9-15(10-12-16)20(28)24-23-19(27)13-14-26-18-8-6-5-7-17(18)25(4)21(26)29/h5-12H,13-14H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyARJDXNOCMVYDDR-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.49
Rot. Bonds4

About 4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide

4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide (PubChem CID 24634971) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide
PubChem CID24634971
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide
SMILESCn1c(=O)n(CCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21
InChIInChI=1S/C22H26N4O3/c1-22(2,3)16-11-9-15(10-12-16)20(28)24-23-19(27)13-14-26-18-8-6-5-7-17(18)25(4)21(26)29/h5-12H,13-14H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyARJDXNOCMVYDDR-UHFFFAOYSA-N
XLogP2.49
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.49
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

4-tert-butyl-N'-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoyl]benzohydrazide
CID 9327474
N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18225583
3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide
CID 24624494
N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide
CID 30211729
1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide
CID 4209045
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide
CID 16590260
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 46449013
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 16591022
N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591399
4-ethyl-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]benzohydrazide
CID 134049177
2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide
CID 27019412
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 16594440

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide (CID 24634971) is 4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide is Cn1c(=O)n(CCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21.
What is the InChIKey of 4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide?
The InChIKey is ARJDXNOCMVYDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-22(2,3)16-11-9-15(10-12-16)20(28)24-23-19(27)13-14-26-18-8-6-5-7-17(18)25(4)21(26)29/h5-12H,13-14H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of 4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide?
4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide has a molecular weight of 394.48 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 24634971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).