N-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide

C14H15FN4O — CID 126839710

IUPACN-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)N1CCn2ccnc21
InChIInChI=1S/C14H15FN4O/c15-12-3-1-11(2-4-12)5-6-17-14(20)19-10-9-18-8-7-16-13(18)19/h1-4,7-8H,5-6,9-10H2,(H,17,20)
InChIKeyNBYYEHMNICBFPD-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.79
Rot. Bonds3

About N-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide (PubChem CID 126839710) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide
PubChem CID126839710
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)N1CCn2ccnc21
InChIInChI=1S/C14H15FN4O/c15-12-3-1-11(2-4-12)5-6-17-14(20)19-10-9-18-8-7-16-13(18)19/h1-4,7-8H,5-6,9-10H2,(H,17,20)
InChIKeyNBYYEHMNICBFPD-UHFFFAOYSA-N
XLogP1.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide (CID 126839710) is N-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide is O=C(NCCc1ccc(F)cc1)N1CCn2ccnc21.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide?
The InChIKey is NBYYEHMNICBFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-12-3-1-11(2-4-12)5-6-17-14(20)19-10-9-18-8-7-16-13(18)19/h1-4,7-8H,5-6,9-10H2,(H,17,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide is sourced from PubChem (CID 126839710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).