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

C20H22FN3O — CID 67907830

IUPAC[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol
SMILESOC(c1nc2ccccc2n1Cc1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C20H22FN3O/c21-16-7-5-14(6-8-16)13-24-18-4-2-1-3-17(18)23-20(24)19(25)15-9-11-22-12-10-15/h1-8,15,19,22,25H,9-13H2
InChIKeyKVWPBFYKEQFVKI-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.26
Rot. Bonds4

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

[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol (PubChem CID 67907830) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol
PubChem CID67907830
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol
SMILESOC(c1nc2ccccc2n1Cc1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C20H22FN3O/c21-16-7-5-14(6-8-16)13-24-18-4-2-1-3-17(18)23-20(24)19(25)15-9-11-22-12-10-15/h1-8,15,19,22,25H,9-13H2
InChIKeyKVWPBFYKEQFVKI-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole
CID 71301961
1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018631
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol
CID 18319925
2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole
CID 18885276
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649355
4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 96571422
[(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methanol
CID 97169554
N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366525
1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 1472616
1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 5293113
(3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97114323
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol?
The IUPAC name of [1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol (CID 67907830) is [1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol is OC(c1nc2ccccc2n1Cc1ccc(F)cc1)C1CCNCC1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol?
The InChIKey is KVWPBFYKEQFVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-16-7-5-14(6-8-16)13-24-18-4-2-1-3-17(18)23-20(24)19(25)15-9-11-22-12-10-15/h1-8,15,19,22,25H,9-13H2.
What are the key properties of [1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol?
[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol has a molecular weight of 339.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol is sourced from PubChem (CID 67907830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).