4-(2-aminoethyl)-3,5-diethyl-1H-imidazol-2-one

C9H17N3O — CID 82407022

IUPAC4-(2-aminoethyl)-3,5-diethyl-1H-imidazol-2-one
SMILESCCc1[nH]c(=O)n(CC)c1CCN
InChIInChI=1S/C9H17N3O/c1-3-7-8(5-6-10)12(4-2)9(13)11-7/h3-6,10H2,1-2H3,(H,11,13)
InChIKeySNEONXMFWVQPRE-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.26
Rot. Bonds4

About 4-(2-aminoethyl)-3,5-diethyl-1H-imidazol-2-one

4-(2-aminoethyl)-3,5-diethyl-1H-imidazol-2-one (PubChem CID 82407022) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3,5-diethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-3,5-diethyl-1H-imidazol-2-one
PubChem CID82407022
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-(2-aminoethyl)-3,5-diethyl-1H-imidazol-2-one
SMILESCCc1[nH]c(=O)n(CC)c1CCN
InChIInChI=1S/C9H17N3O/c1-3-7-8(5-6-10)12(4-2)9(13)11-7/h3-6,10H2,1-2H3,(H,11,13)
InChIKeySNEONXMFWVQPRE-UHFFFAOYSA-N
XLogP0.26
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3,5-diethyl-1H-imidazol-2-one?
The IUPAC name of 4-(2-aminoethyl)-3,5-diethyl-1H-imidazol-2-one (CID 82407022) is 4-(2-aminoethyl)-3,5-diethyl-1H-imidazol-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-3,5-diethyl-1H-imidazol-2-one?
The canonical SMILES for 4-(2-aminoethyl)-3,5-diethyl-1H-imidazol-2-one is CCc1[nH]c(=O)n(CC)c1CCN.
What is the InChIKey of 4-(2-aminoethyl)-3,5-diethyl-1H-imidazol-2-one?
The InChIKey is SNEONXMFWVQPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-7-8(5-6-10)12(4-2)9(13)11-7/h3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 4-(2-aminoethyl)-3,5-diethyl-1H-imidazol-2-one?
4-(2-aminoethyl)-3,5-diethyl-1H-imidazol-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3,5-diethyl-1H-imidazol-2-one is sourced from PubChem (CID 82407022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).