2-[2-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]ethyl]quinoline

C20H15F2N3 — CID 70649654

IUPAC2-[2-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]ethyl]quinoline
SMILESFc1cccc(-c2cnc(CCc3ccc4ccccc4n3)[nH]2)c1F
InChIInChI=1S/C20H15F2N3/c21-16-6-3-5-15(20(16)22)18-12-23-19(25-18)11-10-14-9-8-13-4-1-2-7-17(13)24-14/h1-9,12H,10-11H2,(H,23,25)
InChIKeyNYZTYQYGQNXTNC-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.69
Rot. Bonds4

About 2-[2-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]ethyl]quinoline

2-[2-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]ethyl]quinoline (PubChem CID 70649654) has the molecular formula C20H15F2N3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[2-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-[2-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]ethyl]quinoline
PubChem CID70649654
Molecular FormulaC20H15F2N3
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name2-[2-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]ethyl]quinoline
SMILESFc1cccc(-c2cnc(CCc3ccc4ccccc4n3)[nH]2)c1F
InChIInChI=1S/C20H15F2N3/c21-16-6-3-5-15(20(16)22)18-12-23-19(25-18)11-10-14-9-8-13-4-1-2-7-17(13)24-14/h1-9,12H,10-11H2,(H,23,25)
InChIKeyNYZTYQYGQNXTNC-UHFFFAOYSA-N
XLogP4.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]ethyl]quinoline?
The IUPAC name of 2-[2-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]ethyl]quinoline (CID 70649654) is 2-[2-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]ethyl]quinoline.
What is the SMILES notation for 2-[2-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]ethyl]quinoline?
The canonical SMILES for 2-[2-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]ethyl]quinoline is Fc1cccc(-c2cnc(CCc3ccc4ccccc4n3)[nH]2)c1F.
What is the InChIKey of 2-[2-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]ethyl]quinoline?
The InChIKey is NYZTYQYGQNXTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3/c21-16-6-3-5-15(20(16)22)18-12-23-19(25-18)11-10-14-9-8-13-4-1-2-7-17(13)24-14/h1-9,12H,10-11H2,(H,23,25).
What are the key properties of 2-[2-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]ethyl]quinoline?
2-[2-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]ethyl]quinoline has a molecular weight of 335.36 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(2,3-difluorophenyl)-1H-imidazol-2-yl]ethyl]quinoline is sourced from PubChem (CID 70649654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).