2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide

C12H14N4O — CID 64517782

IUPAC2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide
SMILESNc1ccc(CC(=O)NCc2ncc[nH]2)cc1
InChIInChI=1S/C12H14N4O/c13-10-3-1-9(2-4-10)7-12(17)16-8-11-14-5-6-15-11/h1-6H,7-8,13H2,(H,14,15)(H,16,17)
InChIKeyKKRBFAMOJDSZJG-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.85
Rot. Bonds4

About 2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide

2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide (PubChem CID 64517782) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide
PubChem CID64517782
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide
SMILESNc1ccc(CC(=O)NCc2ncc[nH]2)cc1
InChIInChI=1S/C12H14N4O/c13-10-3-1-9(2-4-10)7-12(17)16-8-11-14-5-6-15-11/h1-6H,7-8,13H2,(H,14,15)(H,16,17)
InChIKeyKKRBFAMOJDSZJG-UHFFFAOYSA-N
XLogP0.85
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.85
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

2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide
CID 81321885
6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide
CID 64518943
N-(1H-imidazol-2-ylmethyl)-2-pyridin-2-ylacetamide
CID 64529840
N-(1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-5-yl)acetamide
CID 79139019
2-[2-(1H-imidazol-2-ylmethylamino)-2-oxoethyl]benzoic acid
CID 104601596
4-amino-2-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 64517590
2-[4-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]acetic acid
CID 64524531
6-amino-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide
CID 64525972
2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64531448
2-(4-aminophenyl)-N-(pyrimidin-4-ylmethyl)acetamide
CID 114110299
2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64529772
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64532408

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide (CID 64517782) is 2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide is Nc1ccc(CC(=O)NCc2ncc[nH]2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide?
The InChIKey is KKRBFAMOJDSZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-10-3-1-9(2-4-10)7-12(17)16-8-11-14-5-6-15-11/h1-6H,7-8,13H2,(H,14,15)(H,16,17).
What are the key properties of 2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide?
2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide has a molecular weight of 230.27 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide is sourced from PubChem (CID 64517782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).