5-(2,2-dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole

C22H18FN5O — CID 136504841

IUPAC5-(2,2-dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESCC1(C)Cn2c(nc3ccc(-c4c(-c5ccc(F)cc5)nc5occn45)cc32)N1
InChIInChI=1S/C22H18FN5O/c1-22(2)12-28-17-11-14(5-8-16(17)24-20(28)26-22)19-18(13-3-6-15(23)7-4-13)25-21-27(19)9-10-29-21/h3-11H,12H2,1-2H3,(H,24,26)
InChIKeyJKEKPSDPQVEEDU-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.95
Rot. Bonds2

About 5-(2,2-dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole

5-(2,2-dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole (PubChem CID 136504841) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is 5-(2,2-dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-(2,2-dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
PubChem CID136504841
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name5-(2,2-dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
SMILESCC1(C)Cn2c(nc3ccc(-c4c(-c5ccc(F)cc5)nc5occn45)cc32)N1
InChIInChI=1S/C22H18FN5O/c1-22(2)12-28-17-11-14(5-8-16(17)24-20(28)26-22)19-18(13-3-6-15(23)7-4-13)25-21-27(19)9-10-29-21/h3-11H,12H2,1-2H3,(H,24,26)
InChIKeyJKEKPSDPQVEEDU-UHFFFAOYSA-N
XLogP4.95
TPSA60.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-(2,2-dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole (CID 136504841) is 5-(2,2-dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-(2,2-dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-(2,2-dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole is CC1(C)Cn2c(nc3ccc(-c4c(-c5ccc(F)cc5)nc5occn45)cc32)N1.
What is the InChIKey of 5-(2,2-dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is JKEKPSDPQVEEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c1-22(2)12-28-17-11-14(5-8-16(17)24-20(28)26-22)19-18(13-3-6-15(23)7-4-13)25-21-27(19)9-10-29-21/h3-11H,12H2,1-2H3,(H,24,26).
What are the key properties of 5-(2,2-dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole?
5-(2,2-dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 387.42 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 136504841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).