5-fluoro-2-[[[3-(1H-imidazol-5-yl)-2-pyridinyl]amino]methyl]phenol

C15H13FN4O — CID 169452185

IUPAC5-fluoro-2-[[[3-(1H-imidazol-5-yl)-2-pyridinyl]amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1cnc[nH]1
InChIInChI=1S/C15H13FN4O/c16-11-4-3-10(14(21)6-11)7-19-15-12(2-1-5-18-15)13-8-17-9-20-13/h1-6,8-9,21H,7H2,(H,17,20)(H,18,19)
InChIKeyGOBKDOPCDPTXFF-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.93
Rot. Bonds4

About 5-fluoro-2-[[[3-(1H-imidazol-5-yl)-2-pyridinyl]amino]methyl]phenol

5-fluoro-2-[[[3-(1H-imidazol-5-yl)-2-pyridinyl]amino]methyl]phenol (PubChem CID 169452185) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-fluoro-2-[[[3-(1H-imidazol-5-yl)-2-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[[[3-(1H-imidazol-5-yl)-2-pyridinyl]amino]methyl]phenol
PubChem CID169452185
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name5-fluoro-2-[[[3-(1H-imidazol-5-yl)-2-pyridinyl]amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1cnc[nH]1
InChIInChI=1S/C15H13FN4O/c16-11-4-3-10(14(21)6-11)7-19-15-12(2-1-5-18-15)13-8-17-9-20-13/h1-6,8-9,21H,7H2,(H,17,20)(H,18,19)
InChIKeyGOBKDOPCDPTXFF-UHFFFAOYSA-N
XLogP2.93
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-[[[3-(1H-imidazol-5-yl)-2-pyridinyl]amino]methyl]phenol with MolForge

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Related Compounds

Sb-202190
CID 5169
RP107
CID 448912
2-((N-(1-(1H-Imidazol-4-yl)-2-propyl)imino)phenylmethyl)phenol
CID 132222
5-Fluoro-2-({[3-(Pyrimidin-2-Yl)pyridin-2-Yl]amino}methyl)phenol
CID 72376515
4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 28
CID 135434952
2-(3-Benzylimidazol-4-yl)phenol
CID 2806275
5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-
CID 3074845
Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-N-methyl-
CID 3074846
(+)-2-Hydroxy-3-(1-(1H-imidazol-4-yl)ethyl)benzenecarboximidamide hydrate
CID 3074849
Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-N-(1-methylethyl)-, hydrate
CID 3074850

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[[3-(1H-imidazol-5-yl)-2-pyridinyl]amino]methyl]phenol?
The IUPAC name of 5-fluoro-2-[[[3-(1H-imidazol-5-yl)-2-pyridinyl]amino]methyl]phenol (CID 169452185) is 5-fluoro-2-[[[3-(1H-imidazol-5-yl)-2-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 5-fluoro-2-[[[3-(1H-imidazol-5-yl)-2-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 5-fluoro-2-[[[3-(1H-imidazol-5-yl)-2-pyridinyl]amino]methyl]phenol is Oc1cc(F)ccc1CNc1ncccc1-c1cnc[nH]1.
What is the InChIKey of 5-fluoro-2-[[[3-(1H-imidazol-5-yl)-2-pyridinyl]amino]methyl]phenol?
The InChIKey is GOBKDOPCDPTXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-11-4-3-10(14(21)6-11)7-19-15-12(2-1-5-18-15)13-8-17-9-20-13/h1-6,8-9,21H,7H2,(H,17,20)(H,18,19).
What are the key properties of 5-fluoro-2-[[[3-(1H-imidazol-5-yl)-2-pyridinyl]amino]methyl]phenol?
5-fluoro-2-[[[3-(1H-imidazol-5-yl)-2-pyridinyl]amino]methyl]phenol has a molecular weight of 284.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[[3-(1H-imidazol-5-yl)-2-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 169452185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).