1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-4-methoxyquinolin-2-one

C22H22FN3O2 — CID 23516989

IUPAC1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-4-methoxyquinolin-2-one
SMILESCOc1cc(=O)n(Cc2nc3ccccc3n2CCCCF)c2ccccc12
InChIInChI=1S/C22H22FN3O2/c1-28-20-14-22(27)26(18-10-4-2-8-16(18)20)15-21-24-17-9-3-5-11-19(17)25(21)13-7-6-12-23/h2-5,8-11,14H,6-7,12-13,15H2,1H3
InChIKeyPNMNWDPYYGTPJE-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.16
Rot. Bonds7

About 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-4-methoxyquinolin-2-one

1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-4-methoxyquinolin-2-one (PubChem CID 23516989) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-4-methoxyquinolin-2-one.

Molecular Properties

Compound Name1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-4-methoxyquinolin-2-one
PubChem CID23516989
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-4-methoxyquinolin-2-one
SMILESCOc1cc(=O)n(Cc2nc3ccccc3n2CCCCF)c2ccccc12
InChIInChI=1S/C22H22FN3O2/c1-28-20-14-22(27)26(18-10-4-2-8-16(18)20)15-21-24-17-9-3-5-11-19(17)25(21)13-7-6-12-23/h2-5,8-11,14H,6-7,12-13,15H2,1H3
InChIKeyPNMNWDPYYGTPJE-UHFFFAOYSA-N
XLogP4.16
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
1-(2-Ethyl-1-methyl-1H-benzimidazol-6-yl)-4-((4-fluorobenzyl)oxy)pyridin-2(1H)-one
CID 71660914
1-(1,2-Dimethyl-1H-benzimidazol-6-yl)-4-((4-fluorobenzyl)oxy)pyridin-2(1H)-one
CID 71660917
1-((2-Methoxyphenyl)methyl)-2-methyl-1H-benzimidazole
CID 940002
1-[(2-Methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole
CID 830207
3-(1,3-Dihydrobenzimidazol-2-ylidene)-1-ethylquinoline-2,4-dione
CID 135421575
3-(1H-benzimidazol-2-yl)-4-hydroxy-1-propylquinolin-2(1H)-one
CID 135441025
Methyl 4-[[3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-oxo-benzimidazol-1-yl]methyl]benzoate
CID 15956499
2-(2,6-Difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole
CID 22482459
1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-4-acetoxymethylbenzimidazole
CID 22482478
3-Bromo-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one
CID 23517066
3-Ethyl-1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]quinolin-2-one
CID 23517072

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-4-methoxyquinolin-2-one?
The IUPAC name of 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-4-methoxyquinolin-2-one (CID 23516989) is 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-4-methoxyquinolin-2-one.
What is the SMILES notation for 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-4-methoxyquinolin-2-one?
The canonical SMILES for 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-4-methoxyquinolin-2-one is COc1cc(=O)n(Cc2nc3ccccc3n2CCCCF)c2ccccc12.
What is the InChIKey of 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-4-methoxyquinolin-2-one?
The InChIKey is PNMNWDPYYGTPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-28-20-14-22(27)26(18-10-4-2-8-16(18)20)15-21-24-17-9-3-5-11-19(17)25(21)13-7-6-12-23/h2-5,8-11,14H,6-7,12-13,15H2,1H3.
What are the key properties of 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-4-methoxyquinolin-2-one?
1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-4-methoxyquinolin-2-one has a molecular weight of 379.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-4-methoxyquinolin-2-one is sourced from PubChem (CID 23516989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).