2-[2-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide

C15H18N4O2 — CID 115465654

IUPAC2-[2-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C15H18N4O2/c16-17-14(20)9-11-3-1-2-4-12(11)10-18-7-8-19(15(18)21)13-5-6-13/h1-4,7-8,13H,5-6,9-10,16H2,(H,17,20)
InChIKeyINOZFBNISVJJBS-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.57
Rot. Bonds5

About 2-[2-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide

2-[2-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide (PubChem CID 115465654) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide
PubChem CID115465654
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-[2-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C15H18N4O2/c16-17-14(20)9-11-3-1-2-4-12(11)10-18-7-8-19(15(18)21)13-5-6-13/h1-4,7-8,13H,5-6,9-10,16H2,(H,17,20)
InChIKeyINOZFBNISVJJBS-UHFFFAOYSA-N
XLogP0.57
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide (CID 115465654) is 2-[2-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide is NNC(=O)Cc1ccccc1Cn1ccn(C2CC2)c1=O.
What is the InChIKey of 2-[2-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide?
The InChIKey is INOZFBNISVJJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-17-14(20)9-11-3-1-2-4-12(11)10-18-7-8-19(15(18)21)13-5-6-13/h1-4,7-8,13H,5-6,9-10,16H2,(H,17,20).
What are the key properties of 2-[2-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide?
2-[2-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide has a molecular weight of 286.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).