2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide

C19H20N4O3 — CID 18158832

IUPAC2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
SMILESCOc1ccccc1CC(=O)NNC(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C19H20N4O3/c1-23-15-9-5-4-8-14(15)20-17(23)12-19(25)22-21-18(24)11-13-7-3-6-10-16(13)26-2/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBLEUTXKAMPBWCY-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.51
Rot. Bonds5

About 2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide

2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide (PubChem CID 18158832) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
PubChem CID18158832
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
SMILESCOc1ccccc1CC(=O)NNC(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C19H20N4O3/c1-23-15-9-5-4-8-14(15)20-17(23)12-19(25)22-21-18(24)11-13-7-3-6-10-16(13)26-2/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBLEUTXKAMPBWCY-UHFFFAOYSA-N
XLogP1.51
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide?
The IUPAC name of 2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide (CID 18158832) is 2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide?
The canonical SMILES for 2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide is COc1ccccc1CC(=O)NNC(=O)Cc1nc2ccccc2n1C.
What is the InChIKey of 2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide?
The InChIKey is BLEUTXKAMPBWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-23-15-9-5-4-8-14(15)20-17(23)12-19(25)22-21-18(24)11-13-7-3-6-10-16(13)26-2/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide?
2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide has a molecular weight of 352.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide is sourced from PubChem (CID 18158832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).