(5R)-3-[3-[4-(5-aminocyclohexa-1,3-dien-1-yl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)-2,5-dimethylimidazol-4-one

C25H33FN4O — CID 142917573

IUPAC(5R)-3-[3-[4-(5-aminocyclohexa-1,3-dien-1-yl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)-2,5-dimethylimidazol-4-one
SMILESCC1=N[C@](C)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(C2=CC=CC(N)C2)CC1
InChIInChI=1S/C25H33FN4O/c1-18-28-25(2,21-7-9-22(26)10-8-21)24(31)30(18)14-4-13-29-15-11-19(12-16-29)20-5-3-6-23(27)17-20/h3,5-10,19,23H,4,11-17,27H2,1-2H3/t23?,25-/m1/s1
InChIKeyQMNVYSILAKYIMW-XSWBTSGESA-N
MW424.56 g/mol
LogP3.62
Rot. Bonds6

About (5R)-3-[3-[4-(5-aminocyclohexa-1,3-dien-1-yl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)-2,5-dimethylimidazol-4-one

(5R)-3-[3-[4-(5-aminocyclohexa-1,3-dien-1-yl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)-2,5-dimethylimidazol-4-one (PubChem CID 142917573) has the molecular formula C25H33FN4O and a molecular weight of 424.56 g/mol. Its IUPAC name is (5R)-3-[3-[4-(5-aminocyclohexa-1,3-dien-1-yl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)-2,5-dimethylimidazol-4-one.

Molecular Properties

Compound Name(5R)-3-[3-[4-(5-aminocyclohexa-1,3-dien-1-yl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)-2,5-dimethylimidazol-4-one
PubChem CID142917573
Molecular FormulaC25H33FN4O
Molecular Weight424.56 g/mol
Exact Mass424.26
IUPAC Name(5R)-3-[3-[4-(5-aminocyclohexa-1,3-dien-1-yl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)-2,5-dimethylimidazol-4-one
SMILESCC1=N[C@](C)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(C2=CC=CC(N)C2)CC1
InChIInChI=1S/C25H33FN4O/c1-18-28-25(2,21-7-9-22(26)10-8-21)24(31)30(18)14-4-13-29-15-11-19(12-16-29)20-5-3-6-23(27)17-20/h3,5-10,19,23H,4,11-17,27H2,1-2H3/t23?,25-/m1/s1
InChIKeyQMNVYSILAKYIMW-XSWBTSGESA-N
XLogP3.62
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-3-[3-[4-(5-aminocyclohexa-1,3-dien-1-yl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)-2,5-dimethylimidazol-4-one with MolForge

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Related Compounds

5,5-bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917397
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917746
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
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
5,5-bis(4-fluorophenyl)-2-methyl-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917262
3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methylimidazol-4-one
CID 10256086
5-(4-fluorophenyl)-2-methyl-5-propyl-3-[3-(4-pyridin-3-ylpiperidin-1-yl)propyl]imidazol-4-one
CID 142917575
methyl 3-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]benzoate
CID 142917626
5-(3-fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-(4-naphthalen-1-ylpiperidin-1-yl)propyl]imidazol-4-one
CID 10439243
3-[3-[4-(4-cyclopropylphenyl)piperidin-1-yl]propyl]-2-(dimethylamino)-5,5-bis(4-fluorophenyl)imidazol-4-one
CID 142917255
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
5-(4-fluorocyclohexa-1,5-dien-1-yl)-5-(4-fluorophenyl)-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-propan-2-ylimidazol-4-one
CID 142917227

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-[4-(5-aminocyclohexa-1,3-dien-1-yl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)-2,5-dimethylimidazol-4-one?
The IUPAC name of (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) is (5R)-3-[3-[4-(5-aminocyclohexa-1,3-dien-1-yl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)-2,5-dimethylimidazol-4-one.
What is the SMILES notation for (5R)-3-[3-[4-(5-aminocyclohexa-1,3-dien-1-yl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)-2,5-dimethylimidazol-4-one?
The canonical SMILES for (5R)-3-[3-[4-(5-aminocyclohexa-1,3-dien-1-yl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)-2,5-dimethylimidazol-4-one is CC1=N[C@](C)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(C2=CC=CC(N)C2)CC1.
What is the InChIKey of (5R)-3-[3-[4-(5-aminocyclohexa-1,3-dien-1-yl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)-2,5-dimethylimidazol-4-one?
The InChIKey is QMNVYSILAKYIMW-XSWBTSGESA-N. The full InChI is InChI=1S/C25H33FN4O/c1-18-28-25(2,21-7-9-22(26)10-8-21)24(31)30(18)14-4-13-29-15-11-19(12-16-29)20-5-3-6-23(27)17-20/h3,5-10,19,23H,4,11-17,27H2,1-2H3/t23?,25-/m1/s1.
What are the key properties of (5R)-3-[3-[4-(5-aminocyclohexa-1,3-dien-1-yl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)-2,5-dimethylimidazol-4-one?
(5R)-3-[3-[4-(5-aminocyclohexa-1,3-dien-1-yl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)-2,5-dimethylimidazol-4-one has a molecular weight of 424.56 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-[4-(5-aminocyclohexa-1,3-dien-1-yl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)-2,5-dimethylimidazol-4-one is sourced from PubChem (CID 142917573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).