4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one

C14H18FN3O — CID 114835184

IUPAC4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O/c1-3-8-18-13(19)17-12(16)14(18,2)9-10-4-6-11(15)7-5-10/h4-7H,3,8-9H2,1-2H3,(H2,16,17,19)
InChIKeyFGHGNCISJZBXNX-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.33
Rot. Bonds4

About 4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one

4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one (PubChem CID 114835184) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one
PubChem CID114835184
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O/c1-3-8-18-13(19)17-12(16)14(18,2)9-10-4-6-11(15)7-5-10/h4-7H,3,8-9H2,1-2H3,(H2,16,17,19)
InChIKeyFGHGNCISJZBXNX-UHFFFAOYSA-N
XLogP2.33
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one?
The IUPAC name of 4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one (CID 114835184) is 4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one.
What is the SMILES notation for 4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one?
The canonical SMILES for 4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one is CCCN1C(=O)N=C(N)C1(C)Cc1ccc(F)cc1.
What is the InChIKey of 4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one?
The InChIKey is FGHGNCISJZBXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-8-18-13(19)17-12(16)14(18,2)9-10-4-6-11(15)7-5-10/h4-7H,3,8-9H2,1-2H3,(H2,16,17,19).
What are the key properties of 4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one?
4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one has a molecular weight of 263.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(4-fluorophenyl)methyl]-5-methyl-1-propylimidazol-2-one is sourced from PubChem (CID 114835184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).