1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methoxyphenyl)methanone

C17H15N3O2 — CID 775902

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1
InChIInChI=1S/C17H15N3O2/c1-22-13-8-6-12(7-9-13)16(21)20-11-10-19-15-5-3-2-4-14(15)18-17(19)20/h2-9H,10-11H2,1H3
InChIKeyGTWUZBGBTWTHAB-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.71
Rot. Bonds2

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methoxyphenyl)methanone

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methoxyphenyl)methanone (PubChem CID 775902) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methoxyphenyl)methanone
PubChem CID775902
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1
InChIInChI=1S/C17H15N3O2/c1-22-13-8-6-12(7-9-13)16(21)20-11-10-19-15-5-3-2-4-14(15)18-17(19)20/h2-9H,10-11H2,1H3
InChIKeyGTWUZBGBTWTHAB-UHFFFAOYSA-N
XLogP2.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methoxyphenyl)methanone?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methoxyphenyl)methanone (CID 775902) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methoxyphenyl)methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methoxyphenyl)methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methoxyphenyl)methanone?
The InChIKey is GTWUZBGBTWTHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-13-8-6-12(7-9-13)16(21)20-11-10-19-15-5-3-2-4-14(15)18-17(19)20/h2-9H,10-11H2,1H3.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methoxyphenyl)methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methoxyphenyl)methanone has a molecular weight of 293.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methoxyphenyl)methanone is sourced from PubChem (CID 775902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).