5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C22H22F3N3O — CID 75451706

IUPAC5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESFc1cc(CN2CCc3c(ncn3CCc3ccccc3)C2)ccc1OC(F)F
InChIInChI=1S/C22H22F3N3O/c23-18-12-17(6-7-21(18)29-22(24)25)13-27-10-9-20-19(14-27)26-15-28(20)11-8-16-4-2-1-3-5-16/h1-7,12,15,22H,8-11,13-14H2
InChIKeyRZQMZSUJOFBVHW-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.42
Rot. Bonds7

About 5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 75451706) has the molecular formula C22H22F3N3O and a molecular weight of 401.43 g/mol. Its IUPAC name is 5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID75451706
Molecular FormulaC22H22F3N3O
Molecular Weight401.43 g/mol
Exact Mass401.17
IUPAC Name5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESFc1cc(CN2CCc3c(ncn3CCc3ccccc3)C2)ccc1OC(F)F
InChIInChI=1S/C22H22F3N3O/c23-18-12-17(6-7-21(18)29-22(24)25)13-27-10-9-20-19(14-27)26-15-28(20)11-8-16-4-2-1-3-5-16/h1-7,12,15,22H,8-11,13-14H2
InChIKeyRZQMZSUJOFBVHW-UHFFFAOYSA-N
XLogP4.42
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 75451706) is 5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Fc1cc(CN2CCc3c(ncn3CCc3ccccc3)C2)ccc1OC(F)F.
What is the InChIKey of 5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is RZQMZSUJOFBVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O/c23-18-12-17(6-7-21(18)29-22(24)25)13-27-10-9-20-19(14-27)26-15-28(20)11-8-16-4-2-1-3-5-16/h1-7,12,15,22H,8-11,13-14H2.
What are the key properties of 5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 401.43 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 75451706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).