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

C13H16N4O — CID 113315085

IUPAC2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
SMILESNc1ccccc1CC(=O)NCCc1ncc[nH]1
InChIInChI=1S/C13H16N4O/c14-11-4-2-1-3-10(11)9-13(18)17-6-5-12-15-7-8-16-12/h1-4,7-8H,5-6,9,14H2,(H,15,16)(H,17,18)
InChIKeyXEFLODDQFDSUTP-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.89
Rot. Bonds5

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

2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide (PubChem CID 113315085) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
PubChem CID113315085
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
SMILESNc1ccccc1CC(=O)NCCc1ncc[nH]1
InChIInChI=1S/C13H16N4O/c14-11-4-2-1-3-10(11)9-13(18)17-6-5-12-15-7-8-16-12/h1-4,7-8H,5-6,9,14H2,(H,15,16)(H,17,18)
InChIKeyXEFLODDQFDSUTP-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 115620128
2-(2,6-difluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115686762
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide
CID 115741084
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide
CID 115748951
2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide
CID 81321885
2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115649653
1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide
CID 106772922
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
2-(4-acetamidophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115620125
4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115751977
2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide
CID 60895368
N-[2-(1H-imidazol-2-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 115620119

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide (CID 113315085) is 2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide is Nc1ccccc1CC(=O)NCCc1ncc[nH]1.
What is the InChIKey of 2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide?
The InChIKey is XEFLODDQFDSUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-11-4-2-1-3-10(11)9-13(18)17-6-5-12-15-7-8-16-12/h1-4,7-8H,5-6,9,14H2,(H,15,16)(H,17,18).
What are the key properties of 2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide?
2-(2-aminophenyl)-N-[2-(1H-imidazol-2-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-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 113315085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).