2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide

C14H15N5O — CID 105352289

IUPAC2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(Cn2ccnc2C#N)cc1
InChIInChI=1S/C14H15N5O/c1-10(14(20)18-16)12-4-2-11(3-5-12)9-19-7-6-17-13(19)8-15/h2-7,10H,9,16H2,1H3,(H,18,20)
InChIKeyTVUAUARXWVHZEN-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.90
Rot. Bonds4

About 2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide

2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide (PubChem CID 105352289) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide
PubChem CID105352289
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(Cn2ccnc2C#N)cc1
InChIInChI=1S/C14H15N5O/c1-10(14(20)18-16)12-4-2-11(3-5-12)9-19-7-6-17-13(19)8-15/h2-7,10H,9,16H2,1H3,(H,18,20)
InChIKeyTVUAUARXWVHZEN-UHFFFAOYSA-N
XLogP0.90
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.90
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-[4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352291
2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide
CID 105352208
2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]phenyl]propanehydrazide
CID 105352171
methyl 4-[(2-cyanoimidazol-1-yl)methyl]-2-fluorobenzoate
CID 113347419
2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide
CID 105352178
2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide
CID 105352128
2-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352253
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide
CID 105352320
2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide
CID 105352360
2-[4-(1,4-diazepan-1-ylmethyl)phenyl]propanehydrazide
CID 105351905
2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide
CID 105351507

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide?
The IUPAC name of 2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide (CID 105352289) is 2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide?
The canonical SMILES for 2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(Cn2ccnc2C#N)cc1.
What is the InChIKey of 2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide?
The InChIKey is TVUAUARXWVHZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10(14(20)18-16)12-4-2-11(3-5-12)9-19-7-6-17-13(19)8-15/h2-7,10H,9,16H2,1H3,(H,18,20).
What are the key properties of 2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide?
2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide has a molecular weight of 269.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyanoimidazol-1-yl)methyl]phenyl]propanehydrazide is sourced from PubChem (CID 105352289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).