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

C40H36Cl2N6O2 — CID 139128384

IUPAC2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol
SMILESCCCCn1c(-c2ccc3cccc(O)c3n2)nc2ccc(Cl)cc21.CCCCn1c(-c2ccc3cccc(O)c3n2)nc2ccc(Cl)cc21
InChIInChI=1S/2C20H18ClN3O/c2*1-2-3-11-24-17-12-14(21)8-10-15(17)23-20(24)16-9-7-13-5-4-6-18(25)19(13)22-16/h2*4-10,12,25H,2-3,11H2,1H3
InChIKeyCGZZNWHHWLWPOL-UHFFFAOYSA-N
MW703.67 g/mol
LogP10.82
Rot. Bonds8

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

2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol (PubChem CID 139128384) has the molecular formula C40H36Cl2N6O2 and a molecular weight of 703.67 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 CID139128384
Molecular FormulaC40H36Cl2N6O2
Molecular Weight703.67 g/mol
Exact Mass702.23
IUPAC Name2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol
SMILESCCCCn1c(-c2ccc3cccc(O)c3n2)nc2ccc(Cl)cc21.CCCCn1c(-c2ccc3cccc(O)c3n2)nc2ccc(Cl)cc21
InChIInChI=1S/2C20H18ClN3O/c2*1-2-3-11-24-17-12-14(21)8-10-15(17)23-20(24)16-9-7-13-5-4-6-18(25)19(13)22-16/h2*4-10,12,25H,2-3,11H2,1H3
InChIKeyCGZZNWHHWLWPOL-UHFFFAOYSA-N
XLogP10.82
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.67
LogP ≤ 510.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

2-(1-(4-Fluorobenzyl)-1h-benzo[d]imidazol-2-yl)quinolin-8-ol
CID 172655108
2-(1-Butyl-6-chlorobenzimidazol-2-yl)quinolin-8-ol
CID 136868428
Tris(2-(1-butyl-6-chlorobenzimidazol-2-yl)quinolin-8-olate);neodymium(3+)
CID 139128388
Tris(2-(1-butyl-5-chlorobenzimidazol-2-yl)quinolin-8-olate);ethanol;neodymium(3+)
CID 139128390
2-(1-Benzyl-1h-benzo[d]imidazol-2-yl)quinolin-8-ol
CID 172655102
2-(1-Benzyl-5-methyl-1h-benzo[d]imidazol-2-yl)quinolin-8-ol
CID 172655104
2-(1-Benzyl-5-chloro-1h-benzo[d]imidazol-2-yl)quinolin-8-ol
CID 172655105
2-(1-(4-Methylbenzyl)-1h-benzo[d]imidazol-2-yl)quinolin-8-ol
CID 172655107
2-(1-(3-Methylbenzyl)-1h-benzo[d]imidazol-2-yl)quinolin-8-ol
CID 172655109
2-(1-(3,5-Dimethylbenzyl)-1h-benzo[d]imidazol-2-yl)quinolin-8-ol
CID 172655112
2-(5-Methyl-1-(4-methylbenzyl)-1h-benzo[d]imidazol-2-yl)quinolin-8-ol
CID 172655113
2-(5-Methyl-1-(3-methylbenzyl)-1h-benzo[d]imidazol-2-yl)quinolin-8-ol
CID 172655114

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 139128384) 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.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 CGZZNWHHWLWPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18ClN3O/c2*1-2-3-11-24-17-12-14(21)8-10-15(17)23-20(24)16-9-7-13-5-4-6-18(25)19(13)22-16/h2*4-10,12,25H,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 703.67 g/mol, XLogP of 10.82, 8 rotatable bonds, 2 hydrogen bond donors, and 8 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 139128384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).