3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide

C27H28N4O5 — CID 24583651

IUPAC3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1OC
InChIInChI=1S/C27H28N4O5/c1-3-15-35-23-14-13-19(16-24(23)34-2)27(33)30-29-26(32)17-31-22-12-8-7-11-21(22)28-25(31)18-36-20-9-5-4-6-10-20/h4-14,16H,3,15,17-18H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyXKJZFXCJQWSPNA-UHFFFAOYSA-N
MW488.54 g/mol
LogP3.87
Rot. Bonds10

About 3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide

3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide (PubChem CID 24583651) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is 3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide
PubChem CID24583651
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC Name3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1OC
InChIInChI=1S/C27H28N4O5/c1-3-15-35-23-14-13-19(16-24(23)34-2)27(33)30-29-26(32)17-31-22-12-8-7-11-21(22)28-25(31)18-36-20-9-5-4-6-10-20/h4-14,16H,3,15,17-18H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyXKJZFXCJQWSPNA-UHFFFAOYSA-N
XLogP3.87
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.87
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

N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 42160417
N-(2-methoxyethyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 35805150
4-ethoxy-3-methoxy-N'-[2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetyl]benzohydrazide
CID 24514973
3-methoxy-N'-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]-4-propoxybenzohydrazide
CID 24514993
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
N-(6-methoxy-3-pyridinyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 8001739
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17031925
N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
CID 26621825
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17474837
N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 4880410
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide
CID 17008517

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide?
The IUPAC name of 3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide (CID 24583651) is 3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide.
What is the SMILES notation for 3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide?
The canonical SMILES for 3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1OC.
What is the InChIKey of 3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide?
The InChIKey is XKJZFXCJQWSPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-3-15-35-23-14-13-19(16-24(23)34-2)27(33)30-29-26(32)17-31-22-12-8-7-11-21(22)28-25(31)18-36-20-9-5-4-6-10-20/h4-14,16H,3,15,17-18H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of 3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide?
3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide has a molecular weight of 488.54 g/mol, XLogP of 3.87, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]-4-propoxybenzohydrazide is sourced from PubChem (CID 24583651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).