5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one

C21H14FN3O — CID 164677881

IUPAC5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one
SMILESO=c1n(Cc2ccccc2)c2ccccc2c2nc3cc(F)ccc3n12
InChIInChI=1S/C21H14FN3O/c22-15-10-11-19-17(12-15)23-20-16-8-4-5-9-18(16)24(21(26)25(19)20)13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyCYUZPTUMFOKGHV-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.99
Rot. Bonds2

About 5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one

5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one (PubChem CID 164677881) has the molecular formula C21H14FN3O and a molecular weight of 343.36 g/mol. Its IUPAC name is 5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one.

Molecular Properties

Compound Name5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one
PubChem CID164677881
Molecular FormulaC21H14FN3O
Molecular Weight343.36 g/mol
Exact Mass343.11
IUPAC Name5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one
SMILESO=c1n(Cc2ccccc2)c2ccccc2c2nc3cc(F)ccc3n12
InChIInChI=1S/C21H14FN3O/c22-15-10-11-19-17(12-15)23-20-16-8-4-5-9-18(16)24(21(26)25(19)20)13-14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyCYUZPTUMFOKGHV-UHFFFAOYSA-N
XLogP3.99
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one?
The IUPAC name of 5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one (CID 164677881) is 5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one.
What is the SMILES notation for 5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one?
The canonical SMILES for 5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one is O=c1n(Cc2ccccc2)c2ccccc2c2nc3cc(F)ccc3n12.
What is the InChIKey of 5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one?
The InChIKey is CYUZPTUMFOKGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O/c22-15-10-11-19-17(12-15)23-20-16-8-4-5-9-18(16)24(21(26)25(19)20)13-14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of 5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one?
5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one has a molecular weight of 343.36 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one is sourced from PubChem (CID 164677881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).