4-(3-aminobutan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one

C8H15N3O — CID 82412736

IUPAC4-(3-aminobutan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(=O)[nH]c1C(C)C(C)N
InChIInChI=1S/C8H15N3O/c1-4(5(2)9)7-6(3)10-8(12)11-7/h4-5H,9H2,1-3H3,(H2,10,11,12)
InChIKeyJWEFLTJVGWNGGG-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.46
Rot. Bonds2

About 4-(3-aminobutan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one

4-(3-aminobutan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one (PubChem CID 82412736) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-(3-aminobutan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(3-aminobutan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one
PubChem CID82412736
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-(3-aminobutan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(=O)[nH]c1C(C)C(C)N
InChIInChI=1S/C8H15N3O/c1-4(5(2)9)7-6(3)10-8(12)11-7/h4-5H,9H2,1-3H3,(H2,10,11,12)
InChIKeyJWEFLTJVGWNGGG-UHFFFAOYSA-N
XLogP0.46
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminobutan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(3-aminobutan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one (CID 82412736) is 4-(3-aminobutan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(3-aminobutan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(3-aminobutan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one is Cc1[nH]c(=O)[nH]c1C(C)C(C)N.
What is the InChIKey of 4-(3-aminobutan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one?
The InChIKey is JWEFLTJVGWNGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4(5(2)9)7-6(3)10-8(12)11-7/h4-5H,9H2,1-3H3,(H2,10,11,12).
What are the key properties of 4-(3-aminobutan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one?
4-(3-aminobutan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one has a molecular weight of 169.23 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobutan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 82412736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).