3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one

C14H19N3O — CID 117365701

IUPAC3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one
SMILESCc1cn(C)c(=O)n1-c1ccc(C(C)CN)cc1
InChIInChI=1S/C14H19N3O/c1-10(8-15)12-4-6-13(7-5-12)17-11(2)9-16(3)14(17)18/h4-7,9-10H,8,15H2,1-3H3
InChIKeyLTVXTPDTTOJESP-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.55
Rot. Bonds3

About 3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one

3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one (PubChem CID 117365701) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one.

Molecular Properties

Compound Name3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one
PubChem CID117365701
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one
SMILESCc1cn(C)c(=O)n1-c1ccc(C(C)CN)cc1
InChIInChI=1S/C14H19N3O/c1-10(8-15)12-4-6-13(7-5-12)17-11(2)9-16(3)14(17)18/h4-7,9-10H,8,15H2,1-3H3
InChIKeyLTVXTPDTTOJESP-UHFFFAOYSA-N
XLogP1.55
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one?
The IUPAC name of 3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one (CID 117365701) is 3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one.
What is the SMILES notation for 3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one?
The canonical SMILES for 3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one is Cc1cn(C)c(=O)n1-c1ccc(C(C)CN)cc1.
What is the InChIKey of 3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one?
The InChIKey is LTVXTPDTTOJESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(8-15)12-4-6-13(7-5-12)17-11(2)9-16(3)14(17)18/h4-7,9-10H,8,15H2,1-3H3.
What are the key properties of 3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one?
3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminopropan-2-yl)phenyl]-1,4-dimethylimidazol-2-one is sourced from PubChem (CID 117365701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).