3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide

C21H24N4O4 — CID 24634750

IUPAC3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1OC
InChIInChI=1S/C21H24N4O4/c1-25-16-7-5-4-6-15(16)22-19(25)13-21(27)24-23-20(26)11-9-14-8-10-17(28-2)18(12-14)29-3/h4-8,10,12H,9,11,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyPXPUYYKUQXLDAP-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.91
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide

3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide (PubChem CID 24634750) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
PubChem CID24634750
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1OC
InChIInChI=1S/C21H24N4O4/c1-25-16-7-5-4-6-15(16)22-19(25)13-21(27)24-23-20(26)11-9-14-8-10-17(28-2)18(12-14)29-3/h4-8,10,12H,9,11,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyPXPUYYKUQXLDAP-UHFFFAOYSA-N
XLogP1.91
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
CID 18158832
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 18228796
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
CID 51516166
2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 16985669
3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
CID 24634766
N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 21264572
1-[3-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone
CID 51103696
1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79755499
2-(3,4-dimethoxyphenyl)-N-[2-[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979798
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 4840051
2-(3,4-dimethoxyphenyl)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide
CID 16994142
4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 3603733

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide (CID 24634750) is 3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide is COc1ccc(CCC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide?
The InChIKey is PXPUYYKUQXLDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-25-16-7-5-4-6-15(16)22-19(25)13-21(27)24-23-20(26)11-9-14-8-10-17(28-2)18(12-14)29-3/h4-8,10,12H,9,11,13H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide?
3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide has a molecular weight of 396.45 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide is sourced from PubChem (CID 24634750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).