1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea

C20H19FN6O — CID 47766787

About 1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea

1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea (PubChem CID 47766787) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea.

Molecular Properties

• Compound Name: 1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
• PubChem CID: 47766787
• Molecular Formula: C20H19FN6O
• Molecular Weight: 378.41 g/mol
• Exact Mass: 378.16
• IUPAC Name: 1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
• SMILES: O=C(NCCc1cn2ccccc2n1)NCc1ccc(-n2ccnc2)c(F)c1
• InChI: InChI=1S/C20H19FN6O/c21-17-11-15(4-5-18(17)27-10-8-22-14-27)12-24-20(28)23-7-6-16-13-26-9-2-1-3-19(26)25-16/h1-5,8-11,13-14H,6-7,12H2,(H2,23,24,28)
• InChIKey: UOTIEFCYHMILJQ-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 76.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.41
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea?

The IUPAC name of 1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea (CID 47766787) is 1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea.

What is the SMILES notation for 1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea?

The canonical SMILES for 1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea is O=C(NCCc1cn2ccccc2n1)NCc1ccc(-n2ccnc2)c(F)c1.

What is the InChIKey of 1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea?

The InChIKey is UOTIEFCYHMILJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c21-17-11-15(4-5-18(17)27-10-8-22-14-27)12-24-20(28)23-7-6-16-13-26-9-2-1-3-19(26)25-16/h1-5,8-11,13-14H,6-7,12H2,(H2,23,24,28).

What are the key properties of 1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea?

1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea has a molecular weight of 378.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea is sourced from PubChem (CID 47766787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).