N'-[2-(4-benzoylphenoxy)propanoyl]-3H-benzimidazole-5-carbohydrazide

C24H20N4O4 — CID 42910006

IUPACN'-[2-(4-benzoylphenoxy)propanoyl]-3H-benzimidazole-5-carbohydrazide
SMILESCC(Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C24H20N4O4/c1-15(23(30)27-28-24(31)18-9-12-20-21(13-18)26-14-25-20)32-19-10-7-17(8-11-19)22(29)16-5-3-2-4-6-16/h2-15H,1H3,(H,25,26)(H,27,30)(H,28,31)
InChIKeyPPLPULSEQBFVER-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.02
Rot. Bonds6

About N'-[2-(4-benzoylphenoxy)propanoyl]-3H-benzimidazole-5-carbohydrazide

N'-[2-(4-benzoylphenoxy)propanoyl]-3H-benzimidazole-5-carbohydrazide (PubChem CID 42910006) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N'-[2-(4-benzoylphenoxy)propanoyl]-3H-benzimidazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-benzoylphenoxy)propanoyl]-3H-benzimidazole-5-carbohydrazide
PubChem CID42910006
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN'-[2-(4-benzoylphenoxy)propanoyl]-3H-benzimidazole-5-carbohydrazide
SMILESCC(Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C24H20N4O4/c1-15(23(30)27-28-24(31)18-9-12-20-21(13-18)26-14-25-20)32-19-10-7-17(8-11-19)22(29)16-5-3-2-4-6-16/h2-15H,1H3,(H,25,26)(H,27,30)(H,28,31)
InChIKeyPPLPULSEQBFVER-UHFFFAOYSA-N
XLogP3.02
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(4-benzoylphenoxy)propanoyl]-3H-benzimidazole-5-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3H-benzimidazole-5-carbonylamino)-3-methylbutanoic acid
CID 24700991
2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9091705
N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 38503100
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide
CID 3631499
N'-[(2R)-2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 8864494
N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 4951406
N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108541335
(2R)-2-(4-benzoylphenoxy)-N'-(3-phenoxypropanoyl)propanehydrazide
CID 41312678
(2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide
CID 40747363
4-methyl-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
CID 4951976
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-benzoylphenoxy)propanoyl]-3H-benzimidazole-5-carbohydrazide?
The IUPAC name of N'-[2-(4-benzoylphenoxy)propanoyl]-3H-benzimidazole-5-carbohydrazide (CID 42910006) is N'-[2-(4-benzoylphenoxy)propanoyl]-3H-benzimidazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(4-benzoylphenoxy)propanoyl]-3H-benzimidazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(4-benzoylphenoxy)propanoyl]-3H-benzimidazole-5-carbohydrazide is CC(Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N'-[2-(4-benzoylphenoxy)propanoyl]-3H-benzimidazole-5-carbohydrazide?
The InChIKey is PPLPULSEQBFVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-15(23(30)27-28-24(31)18-9-12-20-21(13-18)26-14-25-20)32-19-10-7-17(8-11-19)22(29)16-5-3-2-4-6-16/h2-15H,1H3,(H,25,26)(H,27,30)(H,28,31).
What are the key properties of N'-[2-(4-benzoylphenoxy)propanoyl]-3H-benzimidazole-5-carbohydrazide?
N'-[2-(4-benzoylphenoxy)propanoyl]-3H-benzimidazole-5-carbohydrazide has a molecular weight of 428.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-benzoylphenoxy)propanoyl]-3H-benzimidazole-5-carbohydrazide is sourced from PubChem (CID 42910006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).