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

C28H30FN3O — CID 58160538

IUPAC3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H30FN3O/c29-23-14-12-22(13-15-23)25(21-7-2-1-3-8-21)9-6-18-31-19-16-24(17-20-31)32-27-11-5-4-10-26(27)30-28(32)33/h1-5,7-8,10-15,24-25H,6,9,16-20H2,(H,30,33)
InChIKeyPVCIEUVRTMSCLG-UHFFFAOYSA-N
MW443.57 g/mol
LogP5.72
Rot. Bonds7

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

3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 58160538) has the molecular formula C28H30FN3O and a molecular weight of 443.57 g/mol. Its IUPAC name is 3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID58160538
Molecular FormulaC28H30FN3O
Molecular Weight443.57 g/mol
Exact Mass443.24
IUPAC Name3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H30FN3O/c29-23-14-12-22(13-15-23)25(21-7-2-1-3-8-21)9-6-18-31-19-16-24(17-20-31)32-27-11-5-4-10-26(27)30-28(32)33/h1-5,7-8,10-15,24-25H,6,9,16-20H2,(H,30,33)
InChIKeyPVCIEUVRTMSCLG-UHFFFAOYSA-N
XLogP5.72
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-5-fluoro-1H-benzimidazol-2-one
CID 67474892
3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 54670854
3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968540
3-[1-(4,4-dimethoxybutyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968490
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 12763869
3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968600
2-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butyl]isoindole-1,3-dione
CID 18187410
3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968530
3-[1-[4,4-bis(4-fluorophenyl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
CID 76966521
3-[1-[4-oxo-4-(2,3,5,6-tetradeuterio-4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 163321934
3-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968501

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 58160538) is 3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is PVCIEUVRTMSCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O/c29-23-14-12-22(13-15-23)25(21-7-2-1-3-8-21)9-6-18-31-19-16-24(17-20-31)32-27-11-5-4-10-26(27)30-28(32)33/h1-5,7-8,10-15,24-25H,6,9,16-20H2,(H,30,33).
What are the key properties of 3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 443.57 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 58160538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).