5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-7-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one

C23H18FN5O3 — CID 86297349

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-7-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2[nH]c(=O)[nH]c2c1F
InChIInChI=1S/C23H18FN5O3/c1-12-18(13(2)32-29-12)14-11-15(20-21(19(14)24)28-22(30)27-20)23(31,16-7-3-5-9-25-16)17-8-4-6-10-26-17/h3-11,31H,1-2H3,(H2,27,28,30)
InChIKeyKCDOZXUXDIQQHG-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.34
Rot. Bonds4

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-7-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-7-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 86297349) has the molecular formula C23H18FN5O3 and a molecular weight of 431.43 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-7-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-7-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID86297349
Molecular FormulaC23H18FN5O3
Molecular Weight431.43 g/mol
Exact Mass431.14
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-7-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2[nH]c(=O)[nH]c2c1F
InChIInChI=1S/C23H18FN5O3/c1-12-18(13(2)32-29-12)14-11-15(20-21(19(14)24)28-22(30)27-20)23(31,16-7-3-5-9-25-16)17-8-4-6-10-26-17/h3-11,31H,1-2H3,(H2,27,28,30)
InChIKeyKCDOZXUXDIQQHG-UHFFFAOYSA-N
XLogP3.34
TPSA120.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-7-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-7-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 86297349) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-7-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-7-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-7-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2[nH]c(=O)[nH]c2c1F.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-7-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KCDOZXUXDIQQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O3/c1-12-18(13(2)32-29-12)14-11-15(20-21(19(14)24)28-22(30)27-20)23(31,16-7-3-5-9-25-16)17-8-4-6-10-26-17/h3-11,31H,1-2H3,(H2,27,28,30).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-7-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-7-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 431.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluoro-7-[hydroxy(dipyridin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 86297349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).