3-(6-chloro-1H-benzimidazol-2-yl)quinoline

C16H10ClN3 — CID 141307841

IUPAC3-(6-chloro-1H-benzimidazol-2-yl)quinoline
SMILESClc1ccc2nc(-c3cnc4ccccc4c3)[nH]c2c1
InChIInChI=1S/C16H10ClN3/c17-12-5-6-14-15(8-12)20-16(19-14)11-7-10-3-1-2-4-13(10)18-9-11/h1-9H,(H,19,20)
InChIKeyFRELCYBDBCRUAA-UHFFFAOYSA-N
MW279.73 g/mol
LogP4.43
Rot. Bonds1

About 3-(6-chloro-1H-benzimidazol-2-yl)quinoline

3-(6-chloro-1H-benzimidazol-2-yl)quinoline (PubChem CID 141307841) has the molecular formula C16H10ClN3 and a molecular weight of 279.73 g/mol. Its IUPAC name is 3-(6-chloro-1H-benzimidazol-2-yl)quinoline.

Molecular Properties

Compound Name3-(6-chloro-1H-benzimidazol-2-yl)quinoline
PubChem CID141307841
Molecular FormulaC16H10ClN3
Molecular Weight279.73 g/mol
Exact Mass279.06
IUPAC Name3-(6-chloro-1H-benzimidazol-2-yl)quinoline
SMILESClc1ccc2nc(-c3cnc4ccccc4c3)[nH]c2c1
InChIInChI=1S/C16H10ClN3/c17-12-5-6-14-15(8-12)20-16(19-14)11-7-10-3-1-2-4-13(10)18-9-11/h1-9H,(H,19,20)
InChIKeyFRELCYBDBCRUAA-UHFFFAOYSA-N
XLogP4.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
6-chloro-2-(5-fluoro-3-pyridinyl)-1H-benzimidazole
CID 104786095
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
2-(3-bromophenyl)-6-chloro-1H-benzimidazole
CID 60646428
6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
CID 25255675
4-(6-fluoro-2-quinolin-3-yl-1H-benzimidazol-5-yl)morpholine
CID 174464899
2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
CID 60646324
6-chloro-2-(1-ethylpyridin-1-ium-4-yl)-1H-benzimidazole iodide
CID 102552286
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole
CID 56796622
2-[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]-1H-benzimidazole
CID 168555276
3-(2,6-dichloro-4-pyridinyl)quinoline
CID 86078303

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)quinoline?
The IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)quinoline (CID 141307841) is 3-(6-chloro-1H-benzimidazol-2-yl)quinoline.
What is the SMILES notation for 3-(6-chloro-1H-benzimidazol-2-yl)quinoline?
The canonical SMILES for 3-(6-chloro-1H-benzimidazol-2-yl)quinoline is Clc1ccc2nc(-c3cnc4ccccc4c3)[nH]c2c1.
What is the InChIKey of 3-(6-chloro-1H-benzimidazol-2-yl)quinoline?
The InChIKey is FRELCYBDBCRUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3/c17-12-5-6-14-15(8-12)20-16(19-14)11-7-10-3-1-2-4-13(10)18-9-11/h1-9H,(H,19,20).
What are the key properties of 3-(6-chloro-1H-benzimidazol-2-yl)quinoline?
3-(6-chloro-1H-benzimidazol-2-yl)quinoline has a molecular weight of 279.73 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-benzimidazol-2-yl)quinoline is sourced from PubChem (CID 141307841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).