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

C20H22FN3O — CID 18319925

IUPAC4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol
SMILESOC1(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CCNCC1
InChIInChI=1S/C20H22FN3O/c21-16-7-5-15(6-8-16)14-24-18-4-2-1-3-17(18)23-19(24)13-20(25)9-11-22-12-10-20/h1-8,22,25H,9-14H2
InChIKeyXRGZPPLAZLKZTM-UHFFFAOYSA-N
MW339.41 g/mol
LogP2.88
Rot. Bonds4

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

4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol (PubChem CID 18319925) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol
PubChem CID18319925
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol
SMILESOC1(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CCNCC1
InChIInChI=1S/C20H22FN3O/c21-16-7-5-15(6-8-16)14-24-18-4-2-1-3-17(18)23-19(24)13-20(25)9-11-22-12-10-20/h1-8,22,25H,9-14H2
InChIKeyXRGZPPLAZLKZTM-UHFFFAOYSA-N
XLogP2.88
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol
CID 103982830
1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole
CID 71301961
[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol
CID 67907830
1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole
CID 54195084
1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 79753348
1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018631
N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970622
1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 1472616
2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide
CID 17006380
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 976977
1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine
CID 72702181

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol (CID 18319925) is 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol is OC1(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CCNCC1.
What is the InChIKey of 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol?
The InChIKey is XRGZPPLAZLKZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-16-7-5-15(6-8-16)14-24-18-4-2-1-3-17(18)23-19(24)13-20(25)9-11-22-12-10-20/h1-8,22,25H,9-14H2.
What are the key properties of 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol?
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol has a molecular weight of 339.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 18319925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).