4-benzyl-1H-imidazo[1,2-a]benzimidazol-2-one

C16H13N3O — CID 752578

IUPAC4-benzyl-1H-imidazo[1,2-a]benzimidazol-2-one
SMILESO=C1CN2C(=N1)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C16H13N3O/c20-15-11-19-14-9-5-4-8-13(14)18(16(19)17-15)10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyDJCSUOPYXMFZQB-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.41
Rot. Bonds2

About 4-benzyl-1H-imidazo[1,2-a]benzimidazol-2-one

4-benzyl-1H-imidazo[1,2-a]benzimidazol-2-one (PubChem CID 752578) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-benzyl-1H-imidazo[1,2-a]benzimidazol-2-one.

Molecular Properties

Compound Name4-benzyl-1H-imidazo[1,2-a]benzimidazol-2-one
PubChem CID752578
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name4-benzyl-1H-imidazo[1,2-a]benzimidazol-2-one
SMILESO=C1CN2C(=N1)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C16H13N3O/c20-15-11-19-14-9-5-4-8-13(14)18(16(19)17-15)10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyDJCSUOPYXMFZQB-UHFFFAOYSA-N
XLogP2.41
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1H-imidazo[1,2-a]benzimidazol-2-one?
The IUPAC name of 4-benzyl-1H-imidazo[1,2-a]benzimidazol-2-one (CID 752578) is 4-benzyl-1H-imidazo[1,2-a]benzimidazol-2-one.
What is the SMILES notation for 4-benzyl-1H-imidazo[1,2-a]benzimidazol-2-one?
The canonical SMILES for 4-benzyl-1H-imidazo[1,2-a]benzimidazol-2-one is O=C1CN2C(=N1)N(Cc1ccccc1)c1ccccc12.
What is the InChIKey of 4-benzyl-1H-imidazo[1,2-a]benzimidazol-2-one?
The InChIKey is DJCSUOPYXMFZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-15-11-19-14-9-5-4-8-13(14)18(16(19)17-15)10-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 4-benzyl-1H-imidazo[1,2-a]benzimidazol-2-one?
4-benzyl-1H-imidazo[1,2-a]benzimidazol-2-one has a molecular weight of 263.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1H-imidazo[1,2-a]benzimidazol-2-one is sourced from PubChem (CID 752578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).