2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]quinolin-8-ol

C23H16FN3O — CID 172655108

IUPAC2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]quinolin-8-ol
SMILESOc1cccc2ccc(-c3nc4ccccc4n3Cc3ccc(F)cc3)nc12
InChIInChI=1S/C23H16FN3O/c24-17-11-8-15(9-12-17)14-27-20-6-2-1-5-18(20)26-23(27)19-13-10-16-4-3-7-21(28)22(16)25-19/h1-13,28H,14H2
InChIKeyIXOPJUXFSSZTGS-UHFFFAOYSA-N
MW369.40 g/mol
LogP5.14
Rot. Bonds3

About 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]quinolin-8-ol

2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]quinolin-8-ol (PubChem CID 172655108) has the molecular formula C23H16FN3O and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]quinolin-8-ol.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]quinolin-8-ol
PubChem CID172655108
Molecular FormulaC23H16FN3O
Molecular Weight369.40 g/mol
Exact Mass369.13
IUPAC Name2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]quinolin-8-ol
SMILESOc1cccc2ccc(-c3nc4ccccc4n3Cc3ccc(F)cc3)nc12
InChIInChI=1S/C23H16FN3O/c24-17-11-8-15(9-12-17)14-27-20-6-2-1-5-18(20)26-23(27)19-13-10-16-4-3-7-21(28)22(16)25-19/h1-13,28H,14H2
InChIKeyIXOPJUXFSSZTGS-UHFFFAOYSA-N
XLogP5.14
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.40
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-Difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-ol
CID 22482479
5-[(4-Fluoranylimidazol-1-yl)methyl]quinolin-8-ol
CID 135121918
8-Fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxalin-6-ol
CID 42630316
4-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]phenol
CID 168287758
N-Butyl-2,2'-imino-di(8-quinolinol)
CID 2831980
3-[1-(3-hydroxybenzyl)-1H-benzimidazol-2-yl]phenol
CID 888730
5-(1H-benzimidazol-1-ylmethyl)-8-quinolinol
CID 878890
5-[(E)-(1-methyl-1H-benzimidazol-2-yl)diazenyl]quinolin-8-ol
CID 3113698
2-(2-Aminobenzimidazol-1-yl)-3-methylphenol
CID 164611587
6-(Diethylaminomethyl)-3-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]amino]phenol
CID 164625786
2-(Pyrrolidin-1-yl)quinolin-8-ol
CID 16835891
7-(2-Aminobenzimidazol-1-yl)quinolin-8-ol
CID 164617921

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]quinolin-8-ol?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]quinolin-8-ol (CID 172655108) is 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]quinolin-8-ol.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]quinolin-8-ol?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]quinolin-8-ol is Oc1cccc2ccc(-c3nc4ccccc4n3Cc3ccc(F)cc3)nc12.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]quinolin-8-ol?
The InChIKey is IXOPJUXFSSZTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O/c24-17-11-8-15(9-12-17)14-27-20-6-2-1-5-18(20)26-23(27)19-13-10-16-4-3-7-21(28)22(16)25-19/h1-13,28H,14H2.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]quinolin-8-ol?
2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]quinolin-8-ol has a molecular weight of 369.40 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]quinolin-8-ol is sourced from PubChem (CID 172655108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).