5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one

C12H23N3O — CID 79961059

IUPAC5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1CC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-8(2)7-15-9(6-12(3,4)5)10(13)14-11(15)16/h8-9H,6-7H2,1-5H3,(H2,13,14,16)
InChIKeyNKJMZCDJDCZTPN-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.24
Rot. Bonds3

About 5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one

5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one (PubChem CID 79961059) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one
PubChem CID79961059
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1CC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-8(2)7-15-9(6-12(3,4)5)10(13)14-11(15)16/h8-9H,6-7H2,1-5H3,(H2,13,14,16)
InChIKeyNKJMZCDJDCZTPN-UHFFFAOYSA-N
XLogP2.24
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one (CID 79961059) is 5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one is CC(C)CN1C(=O)N=C(N)C1CC(C)(C)C.
What is the InChIKey of 5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The InChIKey is NKJMZCDJDCZTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-8(2)7-15-9(6-12(3,4)5)10(13)14-11(15)16/h8-9H,6-7H2,1-5H3,(H2,13,14,16).
What are the key properties of 5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one has a molecular weight of 225.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,2-dimethylpropyl)-3-(2-methylpropyl)-4H-imidazol-2-one is sourced from PubChem (CID 79961059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).