1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea

C15H11F3N4O2 — CID 2374931

IUPAC1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)8-2-1-3-9(6-8)19-13(23)20-10-4-5-11-12(7-10)22-14(24)21-11/h1-7H,(H2,19,20,23)(H2,21,22,24)
InChIKeyCANFUUPRTXUJTP-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.52
Rot. Bonds2

About 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea

1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 2374931) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID2374931
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)8-2-1-3-9(6-8)19-13(23)20-10-4-5-11-12(7-10)22-14(24)21-11/h1-7H,(H2,19,20,23)(H2,21,22,24)
InChIKeyCANFUUPRTXUJTP-UHFFFAOYSA-N
XLogP3.52
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 2374931) is 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is CANFUUPRTXUJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c16-15(17,18)8-2-1-3-9(6-8)19-13(23)20-10-4-5-11-12(7-10)22-14(24)21-11/h1-7H,(H2,19,20,23)(H2,21,22,24).
What are the key properties of 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 336.27 g/mol, XLogP of 3.52, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2374931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).