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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Related Compounds

6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione
CID 141334416
5-benzyl-2-chloro-9-fluorophenanthridin-6-one
CID 134974780
10,28-difluoro-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),24,26(31),27,29,34,39-octadecaene-15,33-dione
CID 59348151
4-amino-2-benzyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 52939210
4,19-difluoro-8,15,23,30-tetrazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(30),2(7),3,5,9,11,13,15,17(22),18,20,24,26,28-tetradecaene;ethane
CID 145133212
1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione
CID 52936428
4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151543423
9-benzyl-6-fluorocarbazol-4-ol
CID 18671696
2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 53093409
5-phosphanylbenzimidazolo[1,2-c]quinazolin-6-one
CID 71176384
4-benzyl-1-[(2-chloro-4-fluorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 16515934
1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol
CID 161156786

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).