2-[6-[4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]phenyl]-2-pyridinyl]ethanol

C23H23FN4O — CID 171907372

IUPAC2-[6-[4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]phenyl]-2-pyridinyl]ethanol
SMILESCN(Cc1ccc(-c2cccc(CCO)n2)cc1)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C23H23FN4O/c1-28(15-23-26-21-10-9-18(24)13-22(21)27-23)14-16-5-7-17(8-6-16)20-4-2-3-19(25-20)11-12-29/h2-10,13,29H,11-12,14-15H2,1H3,(H,26,27)
InChIKeyVDVNIDPWNAENAG-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.93
Rot. Bonds7

About 2-[6-[4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]phenyl]-2-pyridinyl]ethanol

2-[6-[4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]phenyl]-2-pyridinyl]ethanol (PubChem CID 171907372) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[6-[4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]phenyl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[6-[4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]phenyl]-2-pyridinyl]ethanol
PubChem CID171907372
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name2-[6-[4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]phenyl]-2-pyridinyl]ethanol
SMILESCN(Cc1ccc(-c2cccc(CCO)n2)cc1)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C23H23FN4O/c1-28(15-23-26-21-10-9-18(24)13-22(21)27-23)14-16-5-7-17(8-6-16)20-4-2-3-19(25-20)11-12-29/h2-10,13,29H,11-12,14-15H2,1H3,(H,26,27)
InChIKeyVDVNIDPWNAENAG-UHFFFAOYSA-N
XLogP3.93
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]phenyl]-2-pyridinyl]ethanol?
The IUPAC name of 2-[6-[4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]phenyl]-2-pyridinyl]ethanol (CID 171907372) is 2-[6-[4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]phenyl]-2-pyridinyl]ethanol.
What is the SMILES notation for 2-[6-[4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]phenyl]-2-pyridinyl]ethanol?
The canonical SMILES for 2-[6-[4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]phenyl]-2-pyridinyl]ethanol is CN(Cc1ccc(-c2cccc(CCO)n2)cc1)Cc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 2-[6-[4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]phenyl]-2-pyridinyl]ethanol?
The InChIKey is VDVNIDPWNAENAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-28(15-23-26-21-10-9-18(24)13-22(21)27-23)14-16-5-7-17(8-6-16)20-4-2-3-19(25-20)11-12-29/h2-10,13,29H,11-12,14-15H2,1H3,(H,26,27).
What are the key properties of 2-[6-[4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]phenyl]-2-pyridinyl]ethanol?
2-[6-[4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]phenyl]-2-pyridinyl]ethanol has a molecular weight of 390.46 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]phenyl]-2-pyridinyl]ethanol is sourced from PubChem (CID 171907372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).