[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone

C22H24FN3O — CID 54135393

IUPAC[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCn2cnc3ccccc32)CC1
InChIInChI=1S/C22H24FN3O/c23-19-8-6-17(7-9-19)22(27)18-10-14-25(15-11-18)12-3-13-26-16-24-20-4-1-2-5-21(20)26/h1-2,4-9,16,18H,3,10-15H2
InChIKeyNXIIQWIIZFRNFM-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.16
Rot. Bonds6

About [1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone

[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 54135393) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is [1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID54135393
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCn2cnc3ccccc32)CC1
InChIInChI=1S/C22H24FN3O/c23-19-8-6-17(7-9-19)22(27)18-10-14-25(15-11-18)12-3-13-26-16-24-20-4-1-2-5-21(20)26/h1-2,4-9,16,18H,3,10-15H2
InChIKeyNXIIQWIIZFRNFM-UHFFFAOYSA-N
XLogP4.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 43218269
3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1,3-benzothiazol-2-one
CID 21424822
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
(4-fluorophenyl)-[1-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butyl]piperidin-4-yl]methanone
CID 57162230
1-[4-[4-(2-chlorophenyl)piperidin-1-yl]butyl]benzimidazole
CID 118386910
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone
CID 11016205
2-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 14392435
1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one
CID 58172370
(4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone
CID 67699856
(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride
CID 14882741
(4aS,8aS)-2-[3-(benzimidazol-1-yl)propyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 29209446

Frequently Asked Questions

What is the IUPAC name of [1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone (CID 54135393) is [1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCN(CCCn2cnc3ccccc32)CC1.
What is the InChIKey of [1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is NXIIQWIIZFRNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c23-19-8-6-17(7-9-19)22(27)18-10-14-25(15-11-18)12-3-13-26-16-24-20-4-1-2-5-21(20)26/h1-2,4-9,16,18H,3,10-15H2.
What are the key properties of [1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 365.45 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 54135393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).