5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one

C26H33FN4O — CID 142917575

IUPAC5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one
SMILESCCCC1(c2ccc(F)cc2)N=C(C)N(CCCN2CCC(c3cccnc3)CC2)C1=O
InChIInChI=1S/C26H33FN4O/c1-3-13-26(23-7-9-24(27)10-8-23)25(32)31(20(2)29-26)16-5-15-30-17-11-21(12-18-30)22-6-4-14-28-19-22/h4,6-10,14,19,21H,3,5,11-13,15-18H2,1-2H3
InChIKeyAUULVQQFMIIHNO-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.75
Rot. Bonds8

About 5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one

5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one (PubChem CID 142917575) has the molecular formula C26H33FN4O and a molecular weight of 436.58 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one
PubChem CID142917575
Molecular FormulaC26H33FN4O
Molecular Weight436.58 g/mol
Exact Mass436.26
IUPAC Name5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one
SMILESCCCC1(c2ccc(F)cc2)N=C(C)N(CCCN2CCC(c3cccnc3)CC2)C1=O
InChIInChI=1S/C26H33FN4O/c1-3-13-26(23-7-9-24(27)10-8-23)25(32)31(20(2)29-26)16-5-15-30-17-11-21(12-18-30)22-6-4-14-28-19-22/h4,6-10,14,19,21H,3,5,11-13,15-18H2,1-2H3
InChIKeyAUULVQQFMIIHNO-UHFFFAOYSA-N
XLogP4.75
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one with MolForge

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Related Compounds

(5S)-5-ethyl-5-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917746
5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917397
3-[3-[4-(3a,4-dihydro-1H-benzimidazol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one
CID 142917311
5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917262
3-[3-[4-[3-[(3-ethyl-2-pyridinyl)amino]phenyl]piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 142917451
methyl 3-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]benzoate
CID 142917626
5-ethyl-5-(4-fluorophenyl)-2-methyl-3-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]imidazol-4-one
CID 142917258
3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methylimidazol-4-one
CID 10256086
3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one
CID 142917255
N-[5-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]-2-fluorocyclohexa-2,4-dien-1-yl]propanamide
CID 142917632
5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one
CID 10439243
(5R)-3-[3-[4-(5-aminocyclohexa-1,3-dien-1-yl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)-2,5-dimethylimidazol-4-one
CID 142917573

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one (CID 142917575) is 5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one is CCCC1(c2ccc(F)cc2)N=C(C)N(CCCN2CCC(c3cccnc3)CC2)C1=O.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one?
The InChIKey is AUULVQQFMIIHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O/c1-3-13-26(23-7-9-24(27)10-8-23)25(32)31(20(2)29-26)16-5-15-30-17-11-21(12-18-30)22-6-4-14-28-19-22/h4,6-10,14,19,21H,3,5,11-13,15-18H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one?
5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one has a molecular weight of 436.58 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one is sourced from PubChem (CID 142917575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).