[1-[(5-fluoroquinolin-8-yl)methyl]benzimidazol-2-yl]methanol

C18H14FN3O — CID 110889555

IUPAC[1-[(5-fluoroquinolin-8-yl)methyl]benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1Cc1ccc(F)c2cccnc12
InChIInChI=1S/C18H14FN3O/c19-14-8-7-12(18-13(14)4-3-9-20-18)10-22-16-6-2-1-5-15(16)21-17(22)11-23/h1-9,23H,10-11H2
InChIKeyDGKSFVVAGDQLIN-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.26
Rot. Bonds3

About [1-[(5-fluoroquinolin-8-yl)methyl]benzimidazol-2-yl]methanol

[1-[(5-fluoroquinolin-8-yl)methyl]benzimidazol-2-yl]methanol (PubChem CID 110889555) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is [1-[(5-fluoroquinolin-8-yl)methyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(5-fluoroquinolin-8-yl)methyl]benzimidazol-2-yl]methanol
PubChem CID110889555
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name[1-[(5-fluoroquinolin-8-yl)methyl]benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1Cc1ccc(F)c2cccnc12
InChIInChI=1S/C18H14FN3O/c19-14-8-7-12(18-13(14)4-3-9-20-18)10-22-16-6-2-1-5-15(16)21-17(22)11-23/h1-9,23H,10-11H2
InChIKeyDGKSFVVAGDQLIN-UHFFFAOYSA-N
XLogP3.26
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 55244547
1-[(2-fluorophenyl)methyl]-2-(naphthalen-1-ylmethyl)benzimidazole
CID 4631818
[1-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]methanol
CID 90026749
[1-[(2-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333263
[1-[(3-chloro-1-benzothiophen-2-yl)methyl]benzimidazol-2-yl]methanol
CID 112803208
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol
CID 110879877
3-[(2-ethylbenzimidazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 63107308
1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole
CID 103050144
[1-(methoxymethyl)benzimidazol-2-yl]methanol
CID 1233949
1-(azepan-1-yl)-2-[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]ethanone
CID 55680173
(5-fluoroquinolin-8-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 55649258

Frequently Asked Questions

What is the IUPAC name of [1-[(5-fluoroquinolin-8-yl)methyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[(5-fluoroquinolin-8-yl)methyl]benzimidazol-2-yl]methanol (CID 110889555) is [1-[(5-fluoroquinolin-8-yl)methyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[(5-fluoroquinolin-8-yl)methyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[(5-fluoroquinolin-8-yl)methyl]benzimidazol-2-yl]methanol is OCc1nc2ccccc2n1Cc1ccc(F)c2cccnc12.
What is the InChIKey of [1-[(5-fluoroquinolin-8-yl)methyl]benzimidazol-2-yl]methanol?
The InChIKey is DGKSFVVAGDQLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c19-14-8-7-12(18-13(14)4-3-9-20-18)10-22-16-6-2-1-5-15(16)21-17(22)11-23/h1-9,23H,10-11H2.
What are the key properties of [1-[(5-fluoroquinolin-8-yl)methyl]benzimidazol-2-yl]methanol?
[1-[(5-fluoroquinolin-8-yl)methyl]benzimidazol-2-yl]methanol has a molecular weight of 307.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-fluoroquinolin-8-yl)methyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 110889555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).