5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole

C22H13ClFN3 — CID 155599047

IUPAC5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole
SMILESFc1ccc(-n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)nc1
InChIInChI=1S/C22H13ClFN3/c23-15-8-10-20-19(12-15)26-22(27(20)21-11-9-16(24)13-25-21)18-7-3-5-14-4-1-2-6-17(14)18/h1-13H
InChIKeyYSCHKYUUQZKYNW-UHFFFAOYSA-N
MW373.82 g/mol
LogP6.03
Rot. Bonds2

About 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole

5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole (PubChem CID 155599047) has the molecular formula C22H13ClFN3 and a molecular weight of 373.82 g/mol. Its IUPAC name is 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole.

Molecular Properties

Compound Name5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole
PubChem CID155599047
Molecular FormulaC22H13ClFN3
Molecular Weight373.82 g/mol
Exact Mass373.08
IUPAC Name5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole
SMILESFc1ccc(-n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)nc1
InChIInChI=1S/C22H13ClFN3/c23-15-8-10-20-19(12-15)26-22(27(20)21-11-9-16(24)13-25-21)18-7-3-5-14-4-1-2-6-17(14)18/h1-13H
InChIKeyYSCHKYUUQZKYNW-UHFFFAOYSA-N
XLogP6.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.82
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole?
The IUPAC name of 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole (CID 155599047) is 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole.
What is the SMILES notation for 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole?
The canonical SMILES for 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole is Fc1ccc(-n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)nc1.
What is the InChIKey of 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole?
The InChIKey is YSCHKYUUQZKYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFN3/c23-15-8-10-20-19(12-15)26-22(27(20)21-11-9-16(24)13-25-21)18-7-3-5-14-4-1-2-6-17(14)18/h1-13H.
What are the key properties of 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole?
5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole has a molecular weight of 373.82 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(5-fluoro-2-pyridinyl)-2-naphthalen-1-ylbenzimidazole is sourced from PubChem (CID 155599047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).