5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen

C19H16FN3O2 — CID 163241870

IUPAC5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen
SMILESFc1cc(-c2cnco2)cc2[nH]c(C3COc4ccccc4C3)nc12.[H][H]
InChIInChI=1S/C19H14FN3O2.H2/c20-14-6-12(17-8-21-10-25-17)7-15-18(14)23-19(22-15)13-5-11-3-1-2-4-16(11)24-9-13;/h1-4,6-8,10,13H,5,9H2,(H,22,23);1H
InChIKeyVXKGRIIAYQAJBK-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.32
Rot. Bonds2

About 5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen

5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen (PubChem CID 163241870) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen.

Molecular Properties

Compound Name5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen
PubChem CID163241870
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen
SMILESFc1cc(-c2cnco2)cc2[nH]c(C3COc4ccccc4C3)nc12.[H][H]
InChIInChI=1S/C19H14FN3O2.H2/c20-14-6-12(17-8-21-10-25-17)7-15-18(14)23-19(22-15)13-5-11-3-1-2-4-16(11)24-9-13;/h1-4,6-8,10,13H,5,9H2,(H,22,23);1H
InChIKeyVXKGRIIAYQAJBK-UHFFFAOYSA-N
XLogP4.32
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen?
The IUPAC name of 5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen (CID 163241870) is 5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen.
What is the SMILES notation for 5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen?
The canonical SMILES for 5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen is Fc1cc(-c2cnco2)cc2[nH]c(C3COc4ccccc4C3)nc12.[H][H].
What is the InChIKey of 5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen?
The InChIKey is VXKGRIIAYQAJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2.H2/c20-14-6-12(17-8-21-10-25-17)7-15-18(14)23-19(22-15)13-5-11-3-1-2-4-16(11)24-9-13;/h1-4,6-8,10,13H,5,9H2,(H,22,23);1H.
What are the key properties of 5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen?
5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen has a molecular weight of 337.35 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dihydro-2H-chromen-3-yl)-7-fluoro-3H-benzimidazol-5-yl]-1,3-oxazole;molecular hydrogen is sourced from PubChem (CID 163241870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).