5-[(5,6-dimethylbenzimidazol-1-yl)methyl]quinolin-8-ol

C19H17N3O — CID 155543535

IUPAC5-[(5,6-dimethylbenzimidazol-1-yl)methyl]quinolin-8-ol
SMILESCc1cc2ncn(Cc3ccc(O)c4ncccc34)c2cc1C
InChIInChI=1S/C19H17N3O/c1-12-8-16-17(9-13(12)2)22(11-21-16)10-14-5-6-18(23)19-15(14)4-3-7-20-19/h3-9,11,23H,10H2,1-2H3
InChIKeyFPUGBRWKTVEICK-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.96
Rot. Bonds2

About 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]quinolin-8-ol

5-[(5,6-dimethylbenzimidazol-1-yl)methyl]quinolin-8-ol (PubChem CID 155543535) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(5,6-dimethylbenzimidazol-1-yl)methyl]quinolin-8-ol
PubChem CID155543535
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name5-[(5,6-dimethylbenzimidazol-1-yl)methyl]quinolin-8-ol
SMILESCc1cc2ncn(Cc3ccc(O)c4ncccc34)c2cc1C
InChIInChI=1S/C19H17N3O/c1-12-8-16-17(9-13(12)2)22(11-21-16)10-14-5-6-18(23)19-15(14)4-3-7-20-19/h3-9,11,23H,10H2,1-2H3
InChIKeyFPUGBRWKTVEICK-UHFFFAOYSA-N
XLogP3.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]quinolin-8-ol (CID 155543535) is 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]quinolin-8-ol is Cc1cc2ncn(Cc3ccc(O)c4ncccc34)c2cc1C.
What is the InChIKey of 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]quinolin-8-ol?
The InChIKey is FPUGBRWKTVEICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-12-8-16-17(9-13(12)2)22(11-21-16)10-14-5-6-18(23)19-15(14)4-3-7-20-19/h3-9,11,23H,10H2,1-2H3.
What are the key properties of 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]quinolin-8-ol?
5-[(5,6-dimethylbenzimidazol-1-yl)methyl]quinolin-8-ol has a molecular weight of 303.37 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 155543535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).