4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one

C13H17N3O — CID 117334646

IUPAC4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one
SMILESCC(C)(N)Cc1ccccc1-c1c[nH]c(=O)[nH]1
InChIInChI=1S/C13H17N3O/c1-13(2,14)7-9-5-3-4-6-10(9)11-8-15-12(17)16-11/h3-6,8H,7,14H2,1-2H3,(H2,15,16,17)
InChIKeySFUDZXYHGMFWSM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.65
Rot. Bonds3

About 4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one

4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one (PubChem CID 117334646) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one
PubChem CID117334646
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one
SMILESCC(C)(N)Cc1ccccc1-c1c[nH]c(=O)[nH]1
InChIInChI=1S/C13H17N3O/c1-13(2,14)7-9-5-3-4-6-10(9)11-8-15-12(17)16-11/h3-6,8H,7,14H2,1-2H3,(H2,15,16,17)
InChIKeySFUDZXYHGMFWSM-UHFFFAOYSA-N
XLogP1.65
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one (CID 117334646) is 4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one is CC(C)(N)Cc1ccccc1-c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one?
The InChIKey is SFUDZXYHGMFWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2,14)7-9-5-3-4-6-10(9)11-8-15-12(17)16-11/h3-6,8H,7,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one?
4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-amino-2-methylpropyl)phenyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 117334646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).