3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one

C22H26FN3O — CID 10618985

IUPAC3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FN3O/c23-19-8-6-17(7-9-19)16-18-10-14-25(15-11-18)12-3-13-26-21-5-2-1-4-20(21)24-22(26)27/h1-2,4-9,18H,3,10-16H2,(H,24,27)
InChIKeyUXHLMDWIXZZQFP-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.81
Rot. Bonds6

About 3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one

3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one (PubChem CID 10618985) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one
PubChem CID10618985
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FN3O/c23-19-8-6-17(7-9-19)16-18-10-14-25(15-11-18)12-3-13-26-21-5-2-1-4-20(21)24-22(26)27/h1-2,4-9,18H,3,10-16H2,(H,24,27)
InChIKeyUXHLMDWIXZZQFP-UHFFFAOYSA-N
XLogP3.81
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one (CID 10618985) is 3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCCN1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one?
The InChIKey is UXHLMDWIXZZQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c23-19-8-6-17(7-9-19)16-18-10-14-25(15-11-18)12-3-13-26-21-5-2-1-4-20(21)24-22(26)27/h1-2,4-9,18H,3,10-16H2,(H,24,27).
What are the key properties of 3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one?
3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one has a molecular weight of 367.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 10618985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).