4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one

C10H19N3O — CID 79959823

IUPAC4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one
SMILESCCC(C)CC1(CC)NC(=O)N=C1N
InChIInChI=1S/C10H19N3O/c1-4-7(3)6-10(5-2)8(11)12-9(14)13-10/h7H,4-6H2,1-3H3,(H3,11,12,13,14)
InChIKeyUZMWDCBWOUKUHY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.65
Rot. Bonds4

About 4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one

4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one (PubChem CID 79959823) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one
PubChem CID79959823
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one
SMILESCCC(C)CC1(CC)NC(=O)N=C1N
InChIInChI=1S/C10H19N3O/c1-4-7(3)6-10(5-2)8(11)12-9(14)13-10/h7H,4-6H2,1-3H3,(H3,11,12,13,14)
InChIKeyUZMWDCBWOUKUHY-UHFFFAOYSA-N
XLogP1.65
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one?
The IUPAC name of 4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one (CID 79959823) is 4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one.
What is the SMILES notation for 4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one?
The canonical SMILES for 4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one is CCC(C)CC1(CC)NC(=O)N=C1N.
What is the InChIKey of 4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one?
The InChIKey is UZMWDCBWOUKUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-7(3)6-10(5-2)8(11)12-9(14)13-10/h7H,4-6H2,1-3H3,(H3,11,12,13,14).
What are the key properties of 4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one?
4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-5-(2-methylbutyl)-1H-imidazol-2-one is sourced from PubChem (CID 79959823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).