2-[4-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide

C15H18N4O2 — CID 105352296

IUPAC2-[4-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(Cn2ccn(C3CC3)c2=O)cc1
InChIInChI=1S/C15H18N4O2/c16-17-14(20)9-11-1-3-12(4-2-11)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)
InChIKeyAUYMLBCQGATPOC-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.57
Rot. Bonds5

About 2-[4-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide

2-[4-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide (PubChem CID 105352296) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[4-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide
PubChem CID105352296
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-[4-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(Cn2ccn(C3CC3)c2=O)cc1
InChIInChI=1S/C15H18N4O2/c16-17-14(20)9-11-1-3-12(4-2-11)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)
InChIKeyAUYMLBCQGATPOC-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 ≤ 500286.34
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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Related Compounds

2-[2-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide
CID 115465654
5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide
CID 80582956
1-cyclopropyl-3-[(4-iodophenyl)methyl]imidazol-2-one
CID 80581973
1-cyclopropyl-3-[(4-trimethylsilylphenyl)methyl]imidazol-2-one
CID 103438572
1-cyclopropyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazol-2-one
CID 80581320
1-cyclopropyl-3-(2-oxo-3-phenylpropyl)imidazol-2-one
CID 80581344
2-[4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]phenyl]acetohydrazide
CID 105352234
1-cyclopropyl-3-(furan-3-ylmethyl)imidazol-2-one
CID 116625512
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
CID 80579488
2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105351597
1-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-cyclopropylimidazol-2-one
CID 80579836
2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105351724

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide (CID 105352296) is 2-[4-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(Cn2ccn(C3CC3)c2=O)cc1.
What is the InChIKey of 2-[4-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide?
The InChIKey is AUYMLBCQGATPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-17-14(20)9-11-1-3-12(4-2-11)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-[4-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide?
2-[4-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide has a molecular weight of 286.34 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-[4-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105352296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).