2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide

C13H16N4O — CID 44539079

IUPAC2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CCc2cnc[nH]2)cc1
InChIInChI=1S/C13H16N4O/c14-17-13(18)7-11-3-1-10(2-4-11)5-6-12-8-15-9-16-12/h1-4,8-9H,5-7,14H2,(H,15,16)(H,17,18)
InChIKeyQJBFFQBIRQYAHA-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.73
Rot. Bonds5

About 2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide

2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide (PubChem CID 44539079) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide
PubChem CID44539079
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CCc2cnc[nH]2)cc1
InChIInChI=1S/C13H16N4O/c14-17-13(18)7-11-3-1-10(2-4-11)5-6-12-8-15-9-16-12/h1-4,8-9H,5-7,14H2,(H,15,16)(H,17,18)
InChIKeyQJBFFQBIRQYAHA-UHFFFAOYSA-N
XLogP0.73
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 65230866
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429
5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole
CID 91318795
3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 110697872
1-[(4-chlorophenyl)methyl]-3-[[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]methyl]-1,3-dimethylurea
CID 23368287
3-(1H-imidazol-5-yl)propyl 3-(4-iodophenyl)propanoate
CID 10620015
(2R)-2-[[2-(4-aminophenyl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 103870457
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide
CID 58181343
N-tert-butyl-2-(1H-imidazol-5-yl)acetamide
CID 25128925
N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684075
2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide
CID 175573455

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide (CID 44539079) is 2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(CCc2cnc[nH]2)cc1.
What is the InChIKey of 2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide?
The InChIKey is QJBFFQBIRQYAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-17-13(18)7-11-3-1-10(2-4-11)5-6-12-8-15-9-16-12/h1-4,8-9H,5-7,14H2,(H,15,16)(H,17,18).
What are the key properties of 2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide?
2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide has a molecular weight of 244.30 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide is sourced from PubChem (CID 44539079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).