3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one

C13H15N3O2 — CID 117365079

IUPAC3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1-c1ccc(C(=O)CCN)cc1
InChIInChI=1S/C13H15N3O2/c1-9-8-15-13(18)16(9)11-4-2-10(3-5-11)12(17)6-7-14/h2-5,8H,6-7,14H2,1H3,(H,15,18)
InChIKeyFHZKIUBAXWYCLB-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.01
Rot. Bonds4

About 3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one

3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one (PubChem CID 117365079) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one
PubChem CID117365079
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1-c1ccc(C(=O)CCN)cc1
InChIInChI=1S/C13H15N3O2/c1-9-8-15-13(18)16(9)11-4-2-10(3-5-11)12(17)6-7-14/h2-5,8H,6-7,14H2,1H3,(H,15,18)
InChIKeyFHZKIUBAXWYCLB-UHFFFAOYSA-N
XLogP1.01
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one?
The IUPAC name of 3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one (CID 117365079) is 3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one is Cc1c[nH]c(=O)n1-c1ccc(C(=O)CCN)cc1.
What is the InChIKey of 3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one?
The InChIKey is FHZKIUBAXWYCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-8-15-13(18)16(9)11-4-2-10(3-5-11)12(17)6-7-14/h2-5,8H,6-7,14H2,1H3,(H,15,18).
What are the key properties of 3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one?
3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one is sourced from PubChem (CID 117365079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).