N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide

C24H20N4O5 — CID 42160417

IUPACN'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(Cn1c(COc2ccccc2)nc2ccccc21)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H20N4O5/c29-23(26-27-24(30)16-10-11-20-21(12-16)33-15-32-20)13-28-19-9-5-4-8-18(19)25-22(28)14-31-17-6-2-1-3-7-17/h1-12H,13-15H2,(H,26,29)(H,27,30)
InChIKeyIWYKLMNMGYTUMO-UHFFFAOYSA-N
MW444.45 g/mol
LogP2.81
Rot. Bonds6

About N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide

N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide (PubChem CID 42160417) has the molecular formula C24H20N4O5 and a molecular weight of 444.45 g/mol. Its IUPAC name is N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
PubChem CID42160417
Molecular FormulaC24H20N4O5
Molecular Weight444.45 g/mol
Exact Mass444.14
IUPAC NameN'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
SMILESO=C(Cn1c(COc2ccccc2)nc2ccccc21)NNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H20N4O5/c29-23(26-27-24(30)16-10-11-20-21(12-16)33-15-32-20)13-28-19-9-5-4-8-18(19)25-22(28)14-31-17-6-2-1-3-7-17/h1-12H,13-15H2,(H,26,29)(H,27,30)
InChIKeyIWYKLMNMGYTUMO-UHFFFAOYSA-N
XLogP2.81
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-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

3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide
CID 24583651
N-(2-methoxyethyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 35805150
N'-[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]-2,3-dihydro-1,4-dioxine-5-carbohydrazide
CID 25440552
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 36824061
2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid
CID 119213222
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121439
N'-[2-(5-phenyltetrazol-2-yl)acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 4796127
N'-[2-(2-ethylbenzimidazol-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 167978506
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24622698
2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17032137

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide (CID 42160417) is N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide is O=C(Cn1c(COc2ccccc2)nc2ccccc21)NNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is IWYKLMNMGYTUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O5/c29-23(26-27-24(30)16-10-11-20-21(12-16)33-15-32-20)13-28-19-9-5-4-8-18(19)25-22(28)14-31-17-6-2-1-3-7-17/h1-12H,13-15H2,(H,26,29)(H,27,30).
What are the key properties of N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide?
N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 444.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 42160417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).