N-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide

C14H16N4O2 — CID 79961931

IUPACN-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2C(N)=NC(=O)N2C2CC2)cc1
InChIInChI=1S/C14H16N4O2/c1-8(19)16-10-4-2-9(3-5-10)12-13(15)17-14(20)18(12)11-6-7-11/h2-5,11-12H,6-7H2,1H3,(H,16,19)(H2,15,17,20)
InChIKeyNNBDUOSLLSEOQB-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.64
Rot. Bonds3

About N-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide

N-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide (PubChem CID 79961931) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide
PubChem CID79961931
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2C(N)=NC(=O)N2C2CC2)cc1
InChIInChI=1S/C14H16N4O2/c1-8(19)16-10-4-2-9(3-5-10)12-13(15)17-14(20)18(12)11-6-7-11/h2-5,11-12H,6-7H2,1H3,(H,16,19)(H2,15,17,20)
InChIKeyNNBDUOSLLSEOQB-UHFFFAOYSA-N
XLogP1.64
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide (CID 79961931) is N-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2C(N)=NC(=O)N2C2CC2)cc1.
What is the InChIKey of N-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide?
The InChIKey is NNBDUOSLLSEOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8(19)16-10-4-2-9(3-5-10)12-13(15)17-14(20)18(12)11-6-7-11/h2-5,11-12H,6-7H2,1H3,(H,16,19)(H2,15,17,20).
What are the key properties of N-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide?
N-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide has a molecular weight of 272.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-amino-3-cyclopropyl-2-oxo-4H-imidazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 79961931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).