4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide

C18H18N4O3 — CID 4784308

IUPAC4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H18N4O3/c1-22-15-6-4-3-5-14(15)19-16(22)11-17(23)20-21-18(24)12-7-9-13(25-2)10-8-12/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyJNISLGOJUFFBKU-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.59
Rot. Bonds4

About 4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide

4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide (PubChem CID 4784308) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
PubChem CID4784308
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H18N4O3/c1-22-15-6-4-3-5-14(15)19-16(22)11-17(23)20-21-18(24)12-7-9-13(25-2)10-8-12/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyJNISLGOJUFFBKU-UHFFFAOYSA-N
XLogP1.59
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.59
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 4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide?
The IUPAC name of 4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide (CID 4784308) is 4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide?
The canonical SMILES for 4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1.
What is the InChIKey of 4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide?
The InChIKey is JNISLGOJUFFBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-22-15-6-4-3-5-14(15)19-16(22)11-17(23)20-21-18(24)12-7-9-13(25-2)10-8-12/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide?
4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide has a molecular weight of 338.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide is sourced from PubChem (CID 4784308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).