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

C20H22FN3O — CID 97169554

IUPAC[(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol
SMILESOC[C@@H]1CCCCN1c1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O/c21-16-10-8-15(9-11-16)13-24-19-7-2-1-6-18(19)22-20(24)23-12-4-3-5-17(23)14-25/h1-2,6-11,17,25H,3-5,12-14H2/t17-/m0/s1
InChIKeyYSHARLMNPMEWLF-KRWDZBQOSA-N
MW339.41 g/mol
LogP3.57
Rot. Bonds4

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

[(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol (PubChem CID 97169554) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is [(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol
PubChem CID97169554
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name[(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol
SMILESOC[C@@H]1CCCCN1c1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O/c21-16-10-8-15(9-11-16)13-24-19-7-2-1-6-18(19)22-20(24)23-12-4-3-5-17(23)14-25/h1-2,6-11,17,25H,3-5,12-14H2/t17-/m0/s1
InChIKeyYSHARLMNPMEWLF-KRWDZBQOSA-N
XLogP3.57
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methyl]carbamate
CID 97174261
(3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97114323
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 92716313
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 20886797
N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide
CID 90040249
N'-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 45272890
1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole
CID 71301961
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20882882
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methyl-N-(oxan-4-yl)piperidin-4-amine
CID 45269436
[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol
CID 67907830
tert-butyl 2-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]oxymethyl]piperidine-1-carboxylate
CID 71631787
2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole
CID 18885276

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol (CID 97169554) is [(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol is OC[C@@H]1CCCCN1c1nc2ccccc2n1Cc1ccc(F)cc1.
What is the InChIKey of [(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol?
The InChIKey is YSHARLMNPMEWLF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-16-10-8-15(9-11-16)13-24-19-7-2-1-6-18(19)22-20(24)23-12-4-3-5-17(23)14-25/h1-2,6-11,17,25H,3-5,12-14H2/t17-/m0/s1.
What are the key properties of [(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol?
[(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol has a molecular weight of 339.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 97169554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).