2-(1-benzylbenzimidazol-2-yl)quinolin-8-ol

C23H17N3O — CID 172655102

IUPAC2-(1-benzylbenzimidazol-2-yl)quinolin-8-ol
SMILESOc1cccc2ccc(-c3nc4ccccc4n3Cc3ccccc3)nc12
InChIInChI=1S/C23H17N3O/c27-21-12-6-9-17-13-14-19(24-22(17)21)23-25-18-10-4-5-11-20(18)26(23)15-16-7-2-1-3-8-16/h1-14,27H,15H2
InChIKeyMPSUOOAWRLBRAN-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.01
Rot. Bonds3

About 2-(1-benzylbenzimidazol-2-yl)quinolin-8-ol

2-(1-benzylbenzimidazol-2-yl)quinolin-8-ol (PubChem CID 172655102) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(1-benzylbenzimidazol-2-yl)quinolin-8-ol.

Molecular Properties

Compound Name2-(1-benzylbenzimidazol-2-yl)quinolin-8-ol
PubChem CID172655102
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name2-(1-benzylbenzimidazol-2-yl)quinolin-8-ol
SMILESOc1cccc2ccc(-c3nc4ccccc4n3Cc3ccccc3)nc12
InChIInChI=1S/C23H17N3O/c27-21-12-6-9-17-13-14-19(24-22(17)21)23-25-18-10-4-5-11-20(18)26(23)15-16-7-2-1-3-8-16/h1-14,27H,15H2
InChIKeyMPSUOOAWRLBRAN-UHFFFAOYSA-N
XLogP5.01
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.01
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-Imidazol-1-ylmethyl-quinolin-8-ol
CID 594190
2-[1-(2-hydroxybenzyl)-1H-benzimidazol-2-yl]phenol
CID 682797
2-(4-Quinolin-2-ylpiperazin-1-yl)phenol
CID 4260558
ML240
CID 49830258
N-benzyl-8-methoxy-2-(2-methylbenzimidazol-1-yl)quinazolin-4-amine
CID 89927958
N-benzyl-8-methoxy-2-[2-(methylamino)benzimidazol-1-yl]quinazolin-4-amine
CID 89928011
N-benzyl-2-[2-(dimethylamino)benzimidazol-1-yl]-8-methoxyquinazolin-4-amine
CID 89928159
2-(Piperidin-1-yl)quinolin-8-ol
CID 275310
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylbenzimidazol-2-yl)quinolin-8-ol?
The IUPAC name of 2-(1-benzylbenzimidazol-2-yl)quinolin-8-ol (CID 172655102) is 2-(1-benzylbenzimidazol-2-yl)quinolin-8-ol.
What is the SMILES notation for 2-(1-benzylbenzimidazol-2-yl)quinolin-8-ol?
The canonical SMILES for 2-(1-benzylbenzimidazol-2-yl)quinolin-8-ol is Oc1cccc2ccc(-c3nc4ccccc4n3Cc3ccccc3)nc12.
What is the InChIKey of 2-(1-benzylbenzimidazol-2-yl)quinolin-8-ol?
The InChIKey is MPSUOOAWRLBRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c27-21-12-6-9-17-13-14-19(24-22(17)21)23-25-18-10-4-5-11-20(18)26(23)15-16-7-2-1-3-8-16/h1-14,27H,15H2.
What are the key properties of 2-(1-benzylbenzimidazol-2-yl)quinolin-8-ol?
2-(1-benzylbenzimidazol-2-yl)quinolin-8-ol has a molecular weight of 351.41 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylbenzimidazol-2-yl)quinolin-8-ol is sourced from PubChem (CID 172655102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).