5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C22H21ClFN3 — CID 156786781

IUPAC5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFc1ccccc1-c1nc2c([nH]1)CN(C1CCc3cc(Cl)ccc3C1)CC2
InChIInChI=1S/C22H21ClFN3/c23-16-7-5-15-12-17(8-6-14(15)11-16)27-10-9-20-21(13-27)26-22(25-20)18-3-1-2-4-19(18)24/h1-5,7,11,17H,6,8-10,12-13H2,(H,25,26)
InChIKeySTQKAJISBGCPGB-UHFFFAOYSA-N
MW381.88 g/mol
LogP4.78
Rot. Bonds2

About 5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 156786781) has the molecular formula C22H21ClFN3 and a molecular weight of 381.88 g/mol. Its IUPAC name is 5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID156786781
Molecular FormulaC22H21ClFN3
Molecular Weight381.88 g/mol
Exact Mass381.14
IUPAC Name5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFc1ccccc1-c1nc2c([nH]1)CN(C1CCc3cc(Cl)ccc3C1)CC2
InChIInChI=1S/C22H21ClFN3/c23-16-7-5-15-12-17(8-6-14(15)11-16)27-10-9-20-21(13-27)26-22(25-20)18-3-1-2-4-19(18)24/h1-5,7,11,17H,6,8-10,12-13H2,(H,25,26)
InChIKeySTQKAJISBGCPGB-UHFFFAOYSA-N
XLogP4.78
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 156786781) is 5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Fc1ccccc1-c1nc2c([nH]1)CN(C1CCc3cc(Cl)ccc3C1)CC2.
What is the InChIKey of 5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is STQKAJISBGCPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3/c23-16-7-5-15-12-17(8-6-14(15)11-16)27-10-9-20-21(13-27)26-22(25-20)18-3-1-2-4-19(18)24/h1-5,7,11,17H,6,8-10,12-13H2,(H,25,26).
What are the key properties of 5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 381.88 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 156786781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).