1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone

C22H17FN4O2 — CID 90503368

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
SMILESO=C(N1CCn2c1nc1ccccc12)C1(c2cc(-c3ccccc3F)on2)CC1
InChIInChI=1S/C22H17FN4O2/c23-15-6-2-1-5-14(15)18-13-19(25-29-18)22(9-10-22)20(28)27-12-11-26-17-8-4-3-7-16(17)24-21(26)27/h1-8,13H,9-12H2
InChIKeyJWWZSPSRAXBLMF-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.91
Rot. Bonds3

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone (PubChem CID 90503368) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
PubChem CID90503368
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
SMILESO=C(N1CCn2c1nc1ccccc12)C1(c2cc(-c3ccccc3F)on2)CC1
InChIInChI=1S/C22H17FN4O2/c23-15-6-2-1-5-14(15)18-13-19(25-29-18)22(9-10-22)20(28)27-12-11-26-17-8-4-3-7-16(17)24-21(26)27/h1-8,13H,9-12H2
InChIKeyJWWZSPSRAXBLMF-UHFFFAOYSA-N
XLogP3.91
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone (CID 90503368) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone is O=C(N1CCn2c1nc1ccccc12)C1(c2cc(-c3ccccc3F)on2)CC1.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
The InChIKey is JWWZSPSRAXBLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-15-6-2-1-5-14(15)18-13-19(25-29-18)22(9-10-22)20(28)27-12-11-26-17-8-4-3-7-16(17)24-21(26)27/h1-8,13H,9-12H2.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone has a molecular weight of 388.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone is sourced from PubChem (CID 90503368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).