1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole

C19H20FN3 — CID 71301961

IUPAC1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole
SMILESFc1ccc(Cn2c(C3CCNCC3)nc3ccccc32)cc1
InChIInChI=1S/C19H20FN3/c20-16-7-5-14(6-8-16)13-23-18-4-2-1-3-17(18)22-19(23)15-9-11-21-12-10-15/h1-8,15,21H,9-13H2
InChIKeyDFMUEGPNKVVNAS-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.69
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole

1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole (PubChem CID 71301961) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole
PubChem CID71301961
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole
SMILESFc1ccc(Cn2c(C3CCNCC3)nc3ccccc32)cc1
InChIInChI=1S/C19H20FN3/c20-16-7-5-14(6-8-16)13-23-18-4-2-1-3-17(18)22-19(23)15-9-11-21-12-10-15/h1-8,15,21H,9-13H2
InChIKeyDFMUEGPNKVVNAS-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-piperidin-4-ylbenzimidazole
CID 20983587
[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanol
CID 67907830
1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018631
1-[(4-fluorophenyl)methyl]-2-[(3S)-1-methylpiperidin-3-yl]benzimidazole
CID 46888882
4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline
CID 82150076
[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone;1-[(3-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole;oxane-4-carbonyl chloride
CID 161249495
(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25345342
5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole
CID 508380
4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
CID 22716378
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-ol
CID 18319925
4-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride
CID 171321086
(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 25338479

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole (CID 71301961) is 1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole is Fc1ccc(Cn2c(C3CCNCC3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole?
The InChIKey is DFMUEGPNKVVNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c20-16-7-5-14(6-8-16)13-23-18-4-2-1-3-17(18)22-19(23)15-9-11-21-12-10-15/h1-8,15,21H,9-13H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole?
1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole has a molecular weight of 309.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole is sourced from PubChem (CID 71301961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).