4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one

C7H4F2N2O2 — CID 175928743

IUPAC4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(F)c(O)c(F)c2[nH]1
InChIInChI=1S/C7H4F2N2O2/c8-2-1-3-5(4(9)6(2)12)11-7(13)10-3/h1,12H,(H2,10,11,13)
InChIKeyCCJLSCSIBWTMJO-UHFFFAOYSA-N
MW186.12 g/mol
LogP0.84
Rot. Bonds

About 4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one

4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one (PubChem CID 175928743) has the molecular formula C7H4F2N2O2 and a molecular weight of 186.12 g/mol. Its IUPAC name is 4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one
PubChem CID175928743
Molecular FormulaC7H4F2N2O2
Molecular Weight186.12 g/mol
Exact Mass186.02
IUPAC Name4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(F)c(O)c(F)c2[nH]1
InChIInChI=1S/C7H4F2N2O2/c8-2-1-3-5(4(9)6(2)12)11-7(13)10-3/h1,12H,(H2,10,11,13)
InChIKeyCCJLSCSIBWTMJO-UHFFFAOYSA-N
XLogP0.84
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-fluoro-2-oxo-1,3-dihydrobenzimidazol-5-yl)formamide
CID 169168968
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CID 87648592
4,6-dichloro-1,3-dihydrobenzimidazol-2-one
CID 800233
5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one
CID 68614038
4-fluoro-5-(methoxymethyl)-1,3-dihydrobenzimidazol-2-one
CID 66749375
4-amino-6-(chloromethyl)-1,3-dihydrobenzimidazol-2-one
CID 67903569
5,7-difluoro-1H-quinazoline-2,4-dione
CID 19604393
5-hydroxy-6-methyl-1,3-dihydrobenzimidazol-2-one
CID 11819366
6-(7-azabicyclo[2.2.1]heptan-2-yl)-4-fluoro-1,3-dihydrobenzimidazol-2-one
CID 70116821
5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione
CID 166547715
5-(2,3-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 62648992
5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338650

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one (CID 175928743) is 4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(F)c(O)c(F)c2[nH]1.
What is the InChIKey of 4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one?
The InChIKey is CCJLSCSIBWTMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O2/c8-2-1-3-5(4(9)6(2)12)11-7(13)10-3/h1,12H,(H2,10,11,13).
What are the key properties of 4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one?
4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one has a molecular weight of 186.12 g/mol, XLogP of 0.84, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 175928743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).