N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide

C13H16N4O — CID 55064353

IUPACN-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
SMILESCc1ncn(CC(=O)Nc2ccccc2N)c1C
InChIInChI=1S/C13H16N4O/c1-9-10(2)17(8-15-9)7-13(18)16-12-6-4-3-5-11(12)14/h3-6,8H,7,14H2,1-2H3,(H,16,18)
InChIKeyFNJWILPNDCCUMY-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.72
Rot. Bonds3

About N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide

N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide (PubChem CID 55064353) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
PubChem CID55064353
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
SMILESCc1ncn(CC(=O)Nc2ccccc2N)c1C
InChIInChI=1S/C13H16N4O/c1-9-10(2)17(8-15-9)7-13(18)16-12-6-4-3-5-11(12)14/h3-6,8H,7,14H2,1-2H3,(H,16,18)
InChIKeyFNJWILPNDCCUMY-UHFFFAOYSA-N
XLogP1.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4,5-dimethylimidazol-1-yl)acetohydrazide
CID 63577093
N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 63768463
N-(2-aminophenyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66308829
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
N-(2-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62962477
N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 115616708
2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 115616714
N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide
CID 114760013
N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide
CID 43376196
N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 62130518
N-(2-aminophenyl)-2-(4-fluoroindol-1-yl)acetamide
CID 82782601
N-(2-aminophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60875606

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide?
The IUPAC name of N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide (CID 55064353) is N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide is Cc1ncn(CC(=O)Nc2ccccc2N)c1C.
What is the InChIKey of N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide?
The InChIKey is FNJWILPNDCCUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-10(2)17(8-15-9)7-13(18)16-12-6-4-3-5-11(12)14/h3-6,8H,7,14H2,1-2H3,(H,16,18).
What are the key properties of N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide?
N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide has a molecular weight of 244.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide is sourced from PubChem (CID 55064353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).