(3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol

C19H20FN3O — CID 97114323

IUPAC(3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
SMILESO[C@H]1CCCN(c2nc3ccccc3n2Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H20FN3O/c20-15-9-7-14(8-10-15)12-23-18-6-2-1-5-17(18)21-19(23)22-11-3-4-16(24)13-22/h1-2,5-10,16,24H,3-4,11-13H2/t16-/m0/s1
InChIKeySXSGYNIHJYJENG-INIZCTEOSA-N
MW325.39 g/mol
LogP3.18
Rot. Bonds3

About (3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol

(3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol (PubChem CID 97114323) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is (3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
PubChem CID97114323
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name(3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
SMILESO[C@H]1CCCN(c2nc3ccccc3n2Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H20FN3O/c20-15-9-7-14(8-10-15)12-23-18-6-2-1-5-17(18)21-19(23)22-11-3-4-16(24)13-22/h1-2,5-10,16,24H,3-4,11-13H2/t16-/m0/s1
InChIKeySXSGYNIHJYJENG-INIZCTEOSA-N
XLogP3.18
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97169373
1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71648335
1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71649802
1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71649801
1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine
CID 155142908
N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide
CID 90040249
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71634624
N'-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 45272890
[(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol
CID 97169554
4-[[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]benzimidazol-1-yl]methyl]benzonitrile
CID 97169609
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methyl-N-(oxan-4-yl)piperidin-4-amine
CID 45269436
(3S)-1-[1-[(4-isocyanophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine
CID 155619552

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol?
The IUPAC name of (3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol (CID 97114323) is (3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol is O[C@H]1CCCN(c2nc3ccccc3n2Cc2ccc(F)cc2)C1.
What is the InChIKey of (3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol?
The InChIKey is SXSGYNIHJYJENG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-15-9-7-14(8-10-15)12-23-18-6-2-1-5-17(18)21-19(23)22-11-3-4-16(24)13-22/h1-2,5-10,16,24H,3-4,11-13H2/t16-/m0/s1.
What are the key properties of (3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol?
(3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol has a molecular weight of 325.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol is sourced from PubChem (CID 97114323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).