6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-(2,4,6-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one

C24H16F4N4O3 — CID 86296776

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-(2,4,6-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1noc(C)c1-c1cc(C(O)(c2ccc(F)cn2)c2c(F)cc(F)cc2F)c2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C24H16F4N4O3/c1-10-20(11(2)35-32-10)12-5-15(22-18(6-12)30-23(33)31-22)24(34,19-4-3-13(25)9-29-19)21-16(27)7-14(26)8-17(21)28/h3-9,34H,1-2H3,(H2,30,31,33)
InChIKeyFXHZDSDHEWEYPI-UHFFFAOYSA-N
MW484.41 g/mol
LogP4.36
Rot. Bonds4

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-(2,4,6-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-(2,4,6-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 86296776) has the molecular formula C24H16F4N4O3 and a molecular weight of 484.41 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-(2,4,6-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-(2,4,6-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID86296776
Molecular FormulaC24H16F4N4O3
Molecular Weight484.41 g/mol
Exact Mass484.12
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-(2,4,6-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1noc(C)c1-c1cc(C(O)(c2ccc(F)cn2)c2c(F)cc(F)cc2F)c2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C24H16F4N4O3/c1-10-20(11(2)35-32-10)12-5-15(22-18(6-12)30-23(33)31-22)24(34,19-4-3-13(25)9-29-19)21-16(27)7-14(26)8-17(21)28/h3-9,34H,1-2H3,(H2,30,31,33)
InChIKeyFXHZDSDHEWEYPI-UHFFFAOYSA-N
XLogP4.36
TPSA107.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.41
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-(2,4,6-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-(2,4,6-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 86296776) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-(2,4,6-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-(2,4,6-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-(2,4,6-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one is Cc1noc(C)c1-c1cc(C(O)(c2ccc(F)cn2)c2c(F)cc(F)cc2F)c2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-(2,4,6-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is FXHZDSDHEWEYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N4O3/c1-10-20(11(2)35-32-10)12-5-15(22-18(6-12)30-23(33)31-22)24(34,19-4-3-13(25)9-29-19)21-16(27)7-14(26)8-17(21)28/h3-9,34H,1-2H3,(H2,30,31,33).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-(2,4,6-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-(2,4,6-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 484.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(5-fluoro-2-pyridinyl)-hydroxy-(2,4,6-trifluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 86296776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).