2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide

C13H16N4O — CID 65230866

IUPAC2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
SMILESNc1ccc(CC(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C13H16N4O/c14-11-3-1-10(2-4-11)7-13(18)16-6-5-12-8-15-9-17-12/h1-4,8-9H,5-7,14H2,(H,15,17)(H,16,18)
InChIKeyGYYGCNAUYFWWQR-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.89
Rot. Bonds5

About 2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide

2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide (PubChem CID 65230866) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
PubChem CID65230866
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
SMILESNc1ccc(CC(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C13H16N4O/c14-11-3-1-10(2-4-11)7-13(18)16-6-5-12-8-15-9-17-12/h1-4,8-9H,5-7,14H2,(H,15,17)(H,16,18)
InChIKeyGYYGCNAUYFWWQR-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429
1-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 115913761
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
(E)-3-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 115344385
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide
CID 44539079
5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65230532
4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231177
(2R)-2-[[2-(4-aminophenyl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 103870457
2-(2,3-dihydro-1-benzofuran-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 71754796
6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
CID 19065170
3-(1H-imidazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 110697872

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide (CID 65230866) is 2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide is Nc1ccc(CC(=O)NCCc2cnc[nH]2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The InChIKey is GYYGCNAUYFWWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-11-3-1-10(2-4-11)7-13(18)16-6-5-12-8-15-9-17-12/h1-4,8-9H,5-7,14H2,(H,15,17)(H,16,18).
What are the key properties of 2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide has a molecular weight of 244.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 65230866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).