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

C8H15N3O — CID 82412768

IUPAC4-(4-aminobutyl)-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(=O)[nH]c1CCCCN
InChIInChI=1S/C8H15N3O/c1-6-7(4-2-3-5-9)11-8(12)10-6/h2-5,9H2,1H3,(H2,10,11,12)
InChIKeyPRMVEWNOMGZYAN-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.29
Rot. Bonds4

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

4-(4-aminobutyl)-5-methyl-1,3-dihydroimidazol-2-one (PubChem CID 82412768) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-(4-aminobutyl)-5-methyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(4-aminobutyl)-5-methyl-1,3-dihydroimidazol-2-one
PubChem CID82412768
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-(4-aminobutyl)-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(=O)[nH]c1CCCCN
InChIInChI=1S/C8H15N3O/c1-6-7(4-2-3-5-9)11-8(12)10-6/h2-5,9H2,1H3,(H2,10,11,12)
InChIKeyPRMVEWNOMGZYAN-UHFFFAOYSA-N
XLogP0.29
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutyl)-5-methyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(4-aminobutyl)-5-methyl-1,3-dihydroimidazol-2-one (CID 82412768) is 4-(4-aminobutyl)-5-methyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(4-aminobutyl)-5-methyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(4-aminobutyl)-5-methyl-1,3-dihydroimidazol-2-one is Cc1[nH]c(=O)[nH]c1CCCCN.
What is the InChIKey of 4-(4-aminobutyl)-5-methyl-1,3-dihydroimidazol-2-one?
The InChIKey is PRMVEWNOMGZYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-7(4-2-3-5-9)11-8(12)10-6/h2-5,9H2,1H3,(H2,10,11,12).
What are the key properties of 4-(4-aminobutyl)-5-methyl-1,3-dihydroimidazol-2-one?
4-(4-aminobutyl)-5-methyl-1,3-dihydroimidazol-2-one has a molecular weight of 169.23 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutyl)-5-methyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 82412768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).