2-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]amino]methyl]-5-fluorophenol

C19H15FN4O — CID 171807272

IUPAC2-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]amino]methyl]-5-fluorophenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C19H15FN4O/c20-13-8-7-12(17(25)10-13)11-22-18-14(4-3-9-21-18)19-23-15-5-1-2-6-16(15)24-19/h1-10,25H,11H2,(H,21,22)(H,23,24)
InChIKeyGPIMJZTXLZBHIK-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.08
Rot. Bonds4

About 2-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]amino]methyl]-5-fluorophenol

2-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]amino]methyl]-5-fluorophenol (PubChem CID 171807272) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]amino]methyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]amino]methyl]-5-fluorophenol
PubChem CID171807272
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name2-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]amino]methyl]-5-fluorophenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C19H15FN4O/c20-13-8-7-12(17(25)10-13)11-22-18-14(4-3-9-21-18)19-23-15-5-1-2-6-16(15)24-19/h1-10,25H,11H2,(H,21,22)(H,23,24)
InChIKeyGPIMJZTXLZBHIK-UHFFFAOYSA-N
XLogP4.08
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 5169
CID 5169
CID 155805
CID 155805
CID 18075
CID 18075
CID 1506
CID 1506
CID 1513
CID 1513
CID 448912
CID 448912
CID 9861462
CID 9861462
CID 44546231
CID 44546231
CID 76332983
CID 76332983
CID 135433406
CID 135433406
CID 135434952
CID 135434952
CID 135559082
CID 135559082

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]amino]methyl]-5-fluorophenol?
The IUPAC name of 2-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]amino]methyl]-5-fluorophenol (CID 171807272) is 2-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]amino]methyl]-5-fluorophenol.
What is the SMILES notation for 2-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]amino]methyl]-5-fluorophenol?
The canonical SMILES for 2-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]amino]methyl]-5-fluorophenol is Oc1cc(F)ccc1CNc1ncccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]amino]methyl]-5-fluorophenol?
The InChIKey is GPIMJZTXLZBHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c20-13-8-7-12(17(25)10-13)11-22-18-14(4-3-9-21-18)19-23-15-5-1-2-6-16(15)24-19/h1-10,25H,11H2,(H,21,22)(H,23,24).
What are the key properties of 2-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]amino]methyl]-5-fluorophenol?
2-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]amino]methyl]-5-fluorophenol has a molecular weight of 334.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]amino]methyl]-5-fluorophenol is sourced from PubChem (CID 171807272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).