[3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C20H17F2N3O3 — CID 164696159

IUPAC[3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1cccc(OC(F)F)c1)N1Cc2[nH]cnc2C(c2cccc(O)c2)C1
InChIInChI=1S/C20H17F2N3O3/c21-20(22)28-15-6-2-4-13(8-15)19(27)25-9-16(12-3-1-5-14(26)7-12)18-17(10-25)23-11-24-18/h1-8,11,16,20,26H,9-10H2,(H,23,24)
InChIKeyRFOZRZLCKVFBJA-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.50
Rot. Bonds4

About [3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 164696159) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID164696159
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name[3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1cccc(OC(F)F)c1)N1Cc2[nH]cnc2C(c2cccc(O)c2)C1
InChIInChI=1S/C20H17F2N3O3/c21-20(22)28-15-6-2-4-13(8-15)19(27)25-9-16(12-3-1-5-14(26)7-12)18-17(10-25)23-11-24-18/h1-8,11,16,20,26H,9-10H2,(H,23,24)
InChIKeyRFOZRZLCKVFBJA-UHFFFAOYSA-N
XLogP3.50
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-quinoxalin-6-ylmethanone
CID 164696373
3-[5-[[4-(difluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
CID 165422437
(2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165419028
(3-chloro-4-pyridinyl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164697931
cyclobutyl-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165419154
1H-indol-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164692468
(3,4-difluorophenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164699015
(3-methylsulfanylphenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164698728
[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone
CID 165419465
(7-fluoro-2-methylquinolin-4-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165422322
2-[2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]benzamide
CID 165421163
1H-indol-2-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164695772

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 164696159) is [3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1cccc(OC(F)F)c1)N1Cc2[nH]cnc2C(c2cccc(O)c2)C1.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is RFOZRZLCKVFBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c21-20(22)28-15-6-2-4-13(8-15)19(27)25-9-16(12-3-1-5-14(26)7-12)18-17(10-25)23-11-24-18/h1-8,11,16,20,26H,9-10H2,(H,23,24).
What are the key properties of [3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 385.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 164696159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).