(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one

C21H19F2N3O — CID 97437934

IUPAC(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1)c1ccccc1
InChIInChI=1S/C21H19F2N3O/c1-13(14-5-3-2-4-6-14)21(27)26-10-9-18-19(12-26)25-20(24-18)16-8-7-15(22)11-17(16)23/h2-8,11,13H,9-10,12H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeyWXRNBDUAKYLJGC-CYBMUJFWSA-N
MW367.40 g/mol
LogP4.04
Rot. Bonds3

About (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one

(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one (PubChem CID 97437934) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one
PubChem CID97437934
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1)c1ccccc1
InChIInChI=1S/C21H19F2N3O/c1-13(14-5-3-2-4-6-14)21(27)26-10-9-18-19(12-26)25-20(24-18)16-8-7-15(22)11-17(16)23/h2-8,11,13H,9-10,12H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeyWXRNBDUAKYLJGC-CYBMUJFWSA-N
XLogP4.04
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one?
The IUPAC name of (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one (CID 97437934) is (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one.
What is the SMILES notation for (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one?
The canonical SMILES for (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one is C[C@@H](C(=O)N1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1)c1ccccc1.
What is the InChIKey of (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one?
The InChIKey is WXRNBDUAKYLJGC-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-13(14-5-3-2-4-6-14)21(27)26-10-9-18-19(12-26)25-20(24-18)16-8-7-15(22)11-17(16)23/h2-8,11,13H,9-10,12H2,1H3,(H,24,25)/t13-/m1/s1.
What are the key properties of (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one?
(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one has a molecular weight of 367.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 97437934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).