2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol

C20H18ClN3O — CID 136868428

IUPAC2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol
SMILESCCCCn1c(-c2ccc3cccc(O)c3n2)nc2ccc(Cl)cc21
InChIInChI=1S/C20H18ClN3O/c1-2-3-11-24-17-12-14(21)8-10-15(17)23-20(24)16-9-7-13-5-4-6-18(25)19(13)22-16/h4-10,12,25H,2-3,11H2,1H3
InChIKeyATKKUYWGGGIJBP-UHFFFAOYSA-N
MW351.84 g/mol
LogP5.41
Rot. Bonds4

About 2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol

2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol (PubChem CID 136868428) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol.

Molecular Properties

Compound Name2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol
PubChem CID136868428
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol
SMILESCCCCn1c(-c2ccc3cccc(O)c3n2)nc2ccc(Cl)cc21
InChIInChI=1S/C20H18ClN3O/c1-2-3-11-24-17-12-14(21)8-10-15(17)23-20(24)16-9-7-13-5-4-6-18(25)19(13)22-16/h4-10,12,25H,2-3,11H2,1H3
InChIKeyATKKUYWGGGIJBP-UHFFFAOYSA-N
XLogP5.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.84
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1H-benzimidazol-1-ylmethyl)-8-quinolinol
CID 878890
5-[(E)-(1-methyl-1H-benzimidazol-2-yl)diazenyl]quinolin-8-ol
CID 3113698
(6-Chloro-1-ethylbenzimidazol-2-yl)-diphenylmethanol
CID 126726250
3-[(4-Amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol
CID 147146913
5-[(5,6-Dimethylbenzimidazol-1-yl)methyl]quinolin-8-ol
CID 155543535
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
2-(1H-benzimidazol-2-yl)-6-fluoroquinolin-8-ol
CID 136365932
6-[2-(Dimethylamino)ethyl]-2,3-dimethylindolo[3,2-b]quinoxalin-7-ol
CID 165416973
2-(1H-Benzimidazol-2-yl)-8-quinolinol
CID 136859292

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol?
The IUPAC name of 2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol (CID 136868428) is 2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol.
What is the SMILES notation for 2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol?
The canonical SMILES for 2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol is CCCCn1c(-c2ccc3cccc(O)c3n2)nc2ccc(Cl)cc21.
What is the InChIKey of 2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol?
The InChIKey is ATKKUYWGGGIJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-2-3-11-24-17-12-14(21)8-10-15(17)23-20(24)16-9-7-13-5-4-6-18(25)19(13)22-16/h4-10,12,25H,2-3,11H2,1H3.
What are the key properties of 2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol?
2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol has a molecular weight of 351.84 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol is sourced from PubChem (CID 136868428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).