3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline

C22H13Cl2N3 — CID 71230104

IUPAC3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline
SMILESClc1ccc(-c2nc3ccccc3cc2-c2nc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C22H13Cl2N3/c23-14-9-10-15(17(24)12-14)21-16(11-13-5-1-2-6-18(13)25-21)22-26-19-7-3-4-8-20(19)27-22/h1-12H,(H,26,27)
InChIKeySZPBRSSMRBNRKV-UHFFFAOYSA-N
MW390.27 g/mol
LogP6.75
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline

3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline (PubChem CID 71230104) has the molecular formula C22H13Cl2N3 and a molecular weight of 390.27 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline
PubChem CID71230104
Molecular FormulaC22H13Cl2N3
Molecular Weight390.27 g/mol
Exact Mass389.05
IUPAC Name3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline
SMILESClc1ccc(-c2nc3ccccc3cc2-c2nc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C22H13Cl2N3/c23-14-9-10-15(17(24)12-14)21-16(11-13-5-1-2-6-18(13)25-21)22-26-19-7-3-4-8-20(19)27-22/h1-12H,(H,26,27)
InChIKeySZPBRSSMRBNRKV-UHFFFAOYSA-N
XLogP6.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.27
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline
CID 168555503
2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
CID 168554361
2-[2-(1,6-dichloronaphthalen-2-yl)phenyl]-1H-benzimidazole
CID 134336865
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2-(1H-benzimidazol-2-yl)-4-(2,5-dichlorophenyl)-1,3-thiazole
CID 135692686
2-[2-(2,3-dichlorophenyl)phenyl]-1H-benzimidazole
CID 134336861
2-(4-chloro-3-pyridinyl)-1H-benzimidazole
CID 67996480
[4-(1H-benzimidazol-2-yl)phenyl]-(2,5-dichlorophenyl)methanone
CID 59165209
2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole
CID 135692693

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline (CID 71230104) is 3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline is Clc1ccc(-c2nc3ccccc3cc2-c2nc3ccccc3[nH]2)c(Cl)c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline?
The InChIKey is SZPBRSSMRBNRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2N3/c23-14-9-10-15(17(24)12-14)21-16(11-13-5-1-2-6-18(13)25-21)22-26-19-7-3-4-8-20(19)27-22/h1-12H,(H,26,27).
What are the key properties of 3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline?
3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline has a molecular weight of 390.27 g/mol, XLogP of 6.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline is sourced from PubChem (CID 71230104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).