2-[4-(2-aminoethyl)-3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide

C12H22N4O2 — CID 71019094

IUPAC2-[4-(2-aminoethyl)-3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide
SMILESCC(C)CCn1c(CCN)c(CC(N)=O)[nH]c1=O
InChIInChI=1S/C12H22N4O2/c1-8(2)4-6-16-10(3-5-13)9(7-11(14)17)15-12(16)18/h8H,3-7,13H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyYOEAWGNPJFROFM-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.25
Rot. Bonds7

About 2-[4-(2-aminoethyl)-3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide

2-[4-(2-aminoethyl)-3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide (PubChem CID 71019094) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide
PubChem CID71019094
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[4-(2-aminoethyl)-3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide
SMILESCC(C)CCn1c(CCN)c(CC(N)=O)[nH]c1=O
InChIInChI=1S/C12H22N4O2/c1-8(2)4-6-16-10(3-5-13)9(7-11(14)17)15-12(16)18/h8H,3-7,13H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyYOEAWGNPJFROFM-UHFFFAOYSA-N
XLogP-0.25
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide?
The IUPAC name of 2-[4-(2-aminoethyl)-3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide (CID 71019094) is 2-[4-(2-aminoethyl)-3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide is CC(C)CCn1c(CCN)c(CC(N)=O)[nH]c1=O.
What is the InChIKey of 2-[4-(2-aminoethyl)-3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide?
The InChIKey is YOEAWGNPJFROFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-8(2)4-6-16-10(3-5-13)9(7-11(14)17)15-12(16)18/h8H,3-7,13H2,1-2H3,(H2,14,17)(H,15,18).
What are the key properties of 2-[4-(2-aminoethyl)-3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide?
2-[4-(2-aminoethyl)-3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide has a molecular weight of 254.33 g/mol, XLogP of -0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-3-(3-methylbutyl)-2-oxo-1H-imidazol-5-yl]acetamide is sourced from PubChem (CID 71019094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).