2-(1-benzyl-5-chlorobenzimidazol-2-yl)quinolin-8-ol

C23H16ClN3O — CID 172655105

IUPAC2-(1-benzyl-5-chlorobenzimidazol-2-yl)quinolin-8-ol
SMILESOc1cccc2ccc(-c3nc4cc(Cl)ccc4n3Cc3ccccc3)nc12
InChIInChI=1S/C23H16ClN3O/c24-17-10-12-20-19(13-17)26-23(27(20)14-15-5-2-1-3-6-15)18-11-9-16-7-4-8-21(28)22(16)25-18/h1-13,28H,14H2
InChIKeyJZPKWLMOGXGJTN-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.66
Rot. Bonds3

About 2-(1-benzyl-5-chlorobenzimidazol-2-yl)quinolin-8-ol

2-(1-benzyl-5-chlorobenzimidazol-2-yl)quinolin-8-ol (PubChem CID 172655105) has the molecular formula C23H16ClN3O and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-(1-benzyl-5-chlorobenzimidazol-2-yl)quinolin-8-ol.

Molecular Properties

Compound Name2-(1-benzyl-5-chlorobenzimidazol-2-yl)quinolin-8-ol
PubChem CID172655105
Molecular FormulaC23H16ClN3O
Molecular Weight385.85 g/mol
Exact Mass385.10
IUPAC Name2-(1-benzyl-5-chlorobenzimidazol-2-yl)quinolin-8-ol
SMILESOc1cccc2ccc(-c3nc4cc(Cl)ccc4n3Cc3ccccc3)nc12
InChIInChI=1S/C23H16ClN3O/c24-17-10-12-20-19(13-17)26-23(27(20)14-15-5-2-1-3-6-15)18-11-9-16-7-4-8-21(28)22(16)25-18/h1-13,28H,14H2
InChIKeyJZPKWLMOGXGJTN-UHFFFAOYSA-N
XLogP5.66
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-benzimidazol-1-ylmethyl)-8-quinolinol
CID 878890
3-(1-(3-(1-(4-chlorophenyl)-1H-benzo[d]imidazol-2-ylamino)propyl)piperidin-4-yl)phenol
CID 49865868
2-(4-Chlorophenyl)pyrido[1,2-a]benzimidazol-4-ol
CID 384463
2-(2-amino-5-chlorobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
CID 50918584
2-(1-(4-Fluorobenzyl)-1h-benzo[d]imidazol-2-yl)quinolin-8-ol
CID 172655108
2-(Benzimidazol-1-yl)quinolin-8-ol
CID 21020304
3-[7-Chloro-1-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]phenol
CID 17838405
6-[2-(Dimethylamino)ethyl]-2,3-dimethylindolo[3,2-b]quinoxalin-7-ol
CID 165416973
2-(1H-Benzimidazol-2-yl)-8-quinolinol
CID 136859292
2-(1-Butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol
CID 136868428
2-(1-Butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol
CID 139128384
2-(1-Benzyl-1h-benzo[d]imidazol-2-yl)quinolin-8-ol
CID 172655102

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-chlorobenzimidazol-2-yl)quinolin-8-ol?
The IUPAC name of 2-(1-benzyl-5-chlorobenzimidazol-2-yl)quinolin-8-ol (CID 172655105) is 2-(1-benzyl-5-chlorobenzimidazol-2-yl)quinolin-8-ol.
What is the SMILES notation for 2-(1-benzyl-5-chlorobenzimidazol-2-yl)quinolin-8-ol?
The canonical SMILES for 2-(1-benzyl-5-chlorobenzimidazol-2-yl)quinolin-8-ol is Oc1cccc2ccc(-c3nc4cc(Cl)ccc4n3Cc3ccccc3)nc12.
What is the InChIKey of 2-(1-benzyl-5-chlorobenzimidazol-2-yl)quinolin-8-ol?
The InChIKey is JZPKWLMOGXGJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O/c24-17-10-12-20-19(13-17)26-23(27(20)14-15-5-2-1-3-6-15)18-11-9-16-7-4-8-21(28)22(16)25-18/h1-13,28H,14H2.
What are the key properties of 2-(1-benzyl-5-chlorobenzimidazol-2-yl)quinolin-8-ol?
2-(1-benzyl-5-chlorobenzimidazol-2-yl)quinolin-8-ol has a molecular weight of 385.85 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-chlorobenzimidazol-2-yl)quinolin-8-ol is sourced from PubChem (CID 172655105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).