1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea

C14H10F2N6O — CID 122300777

IUPAC1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea
SMILESO=C(Nc1cnc(-n2ccnc2)nc1)Nc1cc(F)ccc1F
InChIInChI=1S/C14H10F2N6O/c15-9-1-2-11(16)12(5-9)21-14(23)20-10-6-18-13(19-7-10)22-4-3-17-8-22/h1-8H,(H2,20,21,23)
InChIKeyPHMCTELDDSDOFX-UHFFFAOYSA-N
MW316.27 g/mol
LogP2.58
Rot. Bonds3

About 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea

1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea (PubChem CID 122300777) has the molecular formula C14H10F2N6O and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea
PubChem CID122300777
Molecular FormulaC14H10F2N6O
Molecular Weight316.27 g/mol
Exact Mass316.09
IUPAC Name1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea
SMILESO=C(Nc1cnc(-n2ccnc2)nc1)Nc1cc(F)ccc1F
InChIInChI=1S/C14H10F2N6O/c15-9-1-2-11(16)12(5-9)21-14(23)20-10-6-18-13(19-7-10)22-4-3-17-8-22/h1-8H,(H2,20,21,23)
InChIKeyPHMCTELDDSDOFX-UHFFFAOYSA-N
XLogP2.58
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide
CID 121112607
1-(2,5-difluorophenyl)-3-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]urea
CID 122301272
1-(2,5-difluorophenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 122301482
1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea
CID 47032101
1-(2,4-difluorophenyl)-3-(2-imidazol-1-ylphenyl)urea
CID 12911664
3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide
CID 122300852
1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564862
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 121112592
2-(4-chlorophenoxy)-N-(2-imidazol-1-ylpyrimidin-5-yl)acetamide
CID 121112604
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea
CID 3383505
1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea
CID 87013033

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea (CID 122300777) is 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea is O=C(Nc1cnc(-n2ccnc2)nc1)Nc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea?
The InChIKey is PHMCTELDDSDOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N6O/c15-9-1-2-11(16)12(5-9)21-14(23)20-10-6-18-13(19-7-10)22-4-3-17-8-22/h1-8H,(H2,20,21,23).
What are the key properties of 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea?
1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea has a molecular weight of 316.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea is sourced from PubChem (CID 122300777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).