4-fluoro-2-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenol

C12H12FN3O — CID 95119833

IUPAC4-fluoro-2-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenol
SMILESOc1ccc(F)cc1[C@H]1NCCc2[nH]cnc21
InChIInChI=1S/C12H12FN3O/c13-7-1-2-10(17)8(5-7)11-12-9(3-4-14-11)15-6-16-12/h1-2,5-6,11,14,17H,3-4H2,(H,15,16)/t11-/m1/s1
InChIKeyDTDILFZDVJCEHX-LLVKDONJSA-N
MW233.25 g/mol
LogP1.49
Rot. Bonds1

About 4-fluoro-2-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenol

4-fluoro-2-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenol (PubChem CID 95119833) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-fluoro-2-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenol
PubChem CID95119833
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name4-fluoro-2-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenol
SMILESOc1ccc(F)cc1[C@H]1NCCc2[nH]cnc21
InChIInChI=1S/C12H12FN3O/c13-7-1-2-10(17)8(5-7)11-12-9(3-4-14-11)15-6-16-12/h1-2,5-6,11,14,17H,3-4H2,(H,15,16)/t11-/m1/s1
InChIKeyDTDILFZDVJCEHX-LLVKDONJSA-N
XLogP1.49
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-
CID 3074845
Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-N-methyl-
CID 3074846
Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-N-(1-methylethyl)-, hydrate
CID 3074850
3-(1H-imidazol-4-yl)phenol
CID 24971332
2-(1H-imidazol-4-yl)phenol
CID 10307884
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 11
CID 135434951
2-(1H-imidazol-4-yl)-4-methylphenol
CID 58294080
2,4-difluoro-6-(1H-imidazol-4-yl)phenol
CID 58294147
5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452185
4-(4-Methoxyphenyl)-4,5,6,7-tetrahydro-3h-imidazo[4,5-c]pyridine
CID 256469
2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol
CID 337624
4-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 3094232

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
The IUPAC name of 4-fluoro-2-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenol (CID 95119833) is 4-fluoro-2-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenol.
What is the SMILES notation for 4-fluoro-2-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
The canonical SMILES for 4-fluoro-2-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenol is Oc1ccc(F)cc1[C@H]1NCCc2[nH]cnc21.
What is the InChIKey of 4-fluoro-2-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
The InChIKey is DTDILFZDVJCEHX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-7-1-2-10(17)8(5-7)11-12-9(3-4-14-11)15-6-16-12/h1-2,5-6,11,14,17H,3-4H2,(H,15,16)/t11-/m1/s1.
What are the key properties of 4-fluoro-2-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
4-fluoro-2-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenol has a molecular weight of 233.25 g/mol, XLogP of 1.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenol is sourced from PubChem (CID 95119833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).