1-(2,4-difluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea

C14H10F2N4O2 — CID 2542034

IUPAC1-(2,4-difluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H10F2N4O2/c15-7-1-3-10(9(16)5-7)18-13(21)17-8-2-4-11-12(6-8)20-14(22)19-11/h1-6H,(H2,17,18,21)(H2,19,20,22)
InChIKeyMUCWUNVRZWXESS-UHFFFAOYSA-N
MW304.26 g/mol
LogP2.78
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea

1-(2,4-difluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea (PubChem CID 2542034) has the molecular formula C14H10F2N4O2 and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
PubChem CID2542034
Molecular FormulaC14H10F2N4O2
Molecular Weight304.26 g/mol
Exact Mass304.08
IUPAC Name1-(2,4-difluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H10F2N4O2/c15-7-1-3-10(9(16)5-7)18-13(21)17-8-2-4-11-12(6-8)20-14(22)19-11/h1-6H,(H2,17,18,21)(H2,19,20,22)
InChIKeyMUCWUNVRZWXESS-UHFFFAOYSA-N
XLogP2.78
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea (CID 2542034) is 1-(2,4-difluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The InChIKey is MUCWUNVRZWXESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O2/c15-7-1-3-10(9(16)5-7)18-13(21)17-8-2-4-11-12(6-8)20-14(22)19-11/h1-6H,(H2,17,18,21)(H2,19,20,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
1-(2,4-difluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea has a molecular weight of 304.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea is sourced from PubChem (CID 2542034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).