1-tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine

C22H20FN5O — CID 141490969

IUPAC1-tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine
SMILESCC(C)(C)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C22H20FN5O/c1-22(2,3)28-17-12-14(6-9-16(17)25-20(28)24)19-18(13-4-7-15(23)8-5-13)26-21-27(19)10-11-29-21/h4-12H,1-3H3,(H2,24,25)
InChIKeyAXSXOJIBUDCVJA-UHFFFAOYSA-N
MW389.43 g/mol
LogP5.09
Rot. Bonds2

About 1-tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine

1-tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine (PubChem CID 141490969) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine
PubChem CID141490969
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name1-tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine
SMILESCC(C)(C)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C22H20FN5O/c1-22(2,3)28-17-12-14(6-9-16(17)25-20(28)24)19-18(13-4-7-15(23)8-5-13)26-21-27(19)10-11-29-21/h4-12H,1-3H3,(H2,24,25)
InChIKeyAXSXOJIBUDCVJA-UHFFFAOYSA-N
XLogP5.09
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine with MolForge

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Related Compounds

4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 44577212
2-[[3-[1-[(4-Fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 57397055
p38 Kinase inhibitor 7
CID 11338778
p38 Kinase inhibitor 8
CID 11407497
p38 MAP Kinase-IN-1
CID 11417587
6-(2,4-Difluorophenyl)-5-(3-isopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b]oxazole
CID 25134688
6-(2,4-Difluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
CID 49830800
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 49830403
1-benzyl-N-(1,3-oxazol-2-ylmethyl)benzimidazol-2-amine
CID 155524090
1-benzyl-N-(1,3-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 155565815
3-({4-[6-(4-Fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl}amino)-2,2-dimethylpropan-1-ol
CID 11349542
6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]oxazole
CID 19022708

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine?
The IUPAC name of 1-tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine (CID 141490969) is 1-tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine.
What is the SMILES notation for 1-tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine?
The canonical SMILES for 1-tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine is CC(C)(C)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21.
What is the InChIKey of 1-tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine?
The InChIKey is AXSXOJIBUDCVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-22(2,3)28-17-12-14(6-9-16(17)25-20(28)24)19-18(13-4-7-15(23)8-5-13)26-21-27(19)10-11-29-21/h4-12H,1-3H3,(H2,24,25).
What are the key properties of 1-tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine?
1-tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine has a molecular weight of 389.43 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine is sourced from PubChem (CID 141490969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).