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

C20H19F2N3O2 — CID 165422437

IUPAC3-[5-[[4-(difluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
SMILESOc1cccc(C2CN(Cc3ccc(OC(F)F)cc3)Cc3[nH]cnc32)c1
InChIInChI=1S/C20H19F2N3O2/c21-20(22)27-16-6-4-13(5-7-16)9-25-10-17(14-2-1-3-15(26)8-14)19-18(11-25)23-12-24-19/h1-8,12,17,20,26H,9-11H2,(H,23,24)
InChIKeyBDXPXQACNFRLIT-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.86
Rot. Bonds5

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

3-[5-[[4-(difluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol (PubChem CID 165422437) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 3-[5-[[4-(difluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol.

Molecular Properties

Compound Name3-[5-[[4-(difluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
PubChem CID165422437
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name3-[5-[[4-(difluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
SMILESOc1cccc(C2CN(Cc3ccc(OC(F)F)cc3)Cc3[nH]cnc32)c1
InChIInChI=1S/C20H19F2N3O2/c21-20(22)27-16-6-4-13(5-7-16)9-25-10-17(14-2-1-3-15(26)8-14)19-18(11-25)23-12-24-19/h1-8,12,17,20,26H,9-11H2,(H,23,24)
InChIKeyBDXPXQACNFRLIT-UHFFFAOYSA-N
XLogP3.86
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-(difluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?
The IUPAC name of 3-[5-[[4-(difluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol (CID 165422437) is 3-[5-[[4-(difluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol.
What is the SMILES notation for 3-[5-[[4-(difluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?
The canonical SMILES for 3-[5-[[4-(difluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol is Oc1cccc(C2CN(Cc3ccc(OC(F)F)cc3)Cc3[nH]cnc32)c1.
What is the InChIKey of 3-[5-[[4-(difluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?
The InChIKey is BDXPXQACNFRLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-20(22)27-16-6-4-13(5-7-16)9-25-10-17(14-2-1-3-15(26)8-14)19-18(11-25)23-12-24-19/h1-8,12,17,20,26H,9-11H2,(H,23,24).
What are the key properties of 3-[5-[[4-(difluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?
3-[5-[[4-(difluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol has a molecular weight of 371.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[4-(difluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol is sourced from PubChem (CID 165422437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).