3-[5-[(2-chloro-6-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol

C19H17ClFN3O — CID 165417130

IUPAC3-[5-[(2-chloro-6-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
SMILESOc1cccc(C2CN(Cc3c(F)cccc3Cl)Cc3[nH]cnc32)c1
InChIInChI=1S/C19H17ClFN3O/c20-16-5-2-6-17(21)15(16)9-24-8-14(12-3-1-4-13(25)7-12)19-18(10-24)22-11-23-19/h1-7,11,14,25H,8-10H2,(H,22,23)
InChIKeyJVCYVXSFFLKUJG-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.06
Rot. Bonds3

About 3-[5-[(2-chloro-6-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol

3-[5-[(2-chloro-6-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol (PubChem CID 165417130) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is 3-[5-[(2-chloro-6-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol.

Molecular Properties

Compound Name3-[5-[(2-chloro-6-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
PubChem CID165417130
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name3-[5-[(2-chloro-6-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
SMILESOc1cccc(C2CN(Cc3c(F)cccc3Cl)Cc3[nH]cnc32)c1
InChIInChI=1S/C19H17ClFN3O/c20-16-5-2-6-17(21)15(16)9-24-8-14(12-3-1-4-13(25)7-12)19-18(10-24)22-11-23-19/h1-7,11,14,25H,8-10H2,(H,22,23)
InChIKeyJVCYVXSFFLKUJG-UHFFFAOYSA-N
XLogP4.06
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-chloro-6-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?
The IUPAC name of 3-[5-[(2-chloro-6-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol (CID 165417130) is 3-[5-[(2-chloro-6-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol.
What is the SMILES notation for 3-[5-[(2-chloro-6-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?
The canonical SMILES for 3-[5-[(2-chloro-6-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol is Oc1cccc(C2CN(Cc3c(F)cccc3Cl)Cc3[nH]cnc32)c1.
What is the InChIKey of 3-[5-[(2-chloro-6-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?
The InChIKey is JVCYVXSFFLKUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c20-16-5-2-6-17(21)15(16)9-24-8-14(12-3-1-4-13(25)7-12)19-18(10-24)22-11-23-19/h1-7,11,14,25H,8-10H2,(H,22,23).
What are the key properties of 3-[5-[(2-chloro-6-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?
3-[5-[(2-chloro-6-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol has a molecular weight of 357.82 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-chloro-6-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol is sourced from PubChem (CID 165417130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).