(4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one

C26H35N3O2 — CID 142669096

IUPAC(4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one
SMILESCc1cc(CN2C[C@H](c3ccccc3)NC2=O)ccc1OCCCCN1CCCCC1
InChIInChI=1S/C26H35N3O2/c1-21-18-22(19-29-20-24(27-26(29)30)23-10-4-2-5-11-23)12-13-25(21)31-17-9-8-16-28-14-6-3-7-15-28/h2,4-5,10-13,18,24H,3,6-9,14-17,19-20H2,1H3,(H,27,30)/t24-/m1/s1
InChIKeyVOQAVQJPGDXHNU-XMMPIXPASA-N
MW421.59 g/mol
LogP4.91
Rot. Bonds9

About (4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one

(4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one (PubChem CID 142669096) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is (4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one
PubChem CID142669096
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name(4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one
SMILESCc1cc(CN2C[C@H](c3ccccc3)NC2=O)ccc1OCCCCN1CCCCC1
InChIInChI=1S/C26H35N3O2/c1-21-18-22(19-29-20-24(27-26(29)30)23-10-4-2-5-11-23)12-13-25(21)31-17-9-8-16-28-14-6-3-7-15-28/h2,4-5,10-13,18,24H,3,6-9,14-17,19-20H2,1H3,(H,27,30)/t24-/m1/s1
InChIKeyVOQAVQJPGDXHNU-XMMPIXPASA-N
XLogP4.91
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-1-[[3-bromo-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one
CID 142669091
(4S)-3-methyl-1-[[3-methyl-4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one
CID 142669150
(4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one
CID 142669159
(4S)-1-benzyl-4-phenylimidazolidin-2-one
CID 142669129
1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine
CID 2263109
1-[4-(4-bromo-2-methylphenoxy)butyl]azepane;oxalic acid
CID 2943843
4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide
CID 142669098
1-[3-(4-tert-butyl-2-methylphenoxy)propyl]piperidine;oxalic acid
CID 2923350
4-methyl-3-(3-piperidin-1-ylpropoxy)benzoic acid
CID 82165926
1-[3-(4-bromo-2-methylphenoxy)propyl]pyrrolidine
CID 2296987
(3R)-1-[(3-methyl-4-propoxyphenyl)methyl]piperidin-3-ol
CID 167875684
(2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one
CID 142706599

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one?
The IUPAC name of (4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one (CID 142669096) is (4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one?
The canonical SMILES for (4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one is Cc1cc(CN2C[C@H](c3ccccc3)NC2=O)ccc1OCCCCN1CCCCC1.
What is the InChIKey of (4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one?
The InChIKey is VOQAVQJPGDXHNU-XMMPIXPASA-N. The full InChI is InChI=1S/C26H35N3O2/c1-21-18-22(19-29-20-24(27-26(29)30)23-10-4-2-5-11-23)12-13-25(21)31-17-9-8-16-28-14-6-3-7-15-28/h2,4-5,10-13,18,24H,3,6-9,14-17,19-20H2,1H3,(H,27,30)/t24-/m1/s1.
What are the key properties of (4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one?
(4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one has a molecular weight of 421.59 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 142669096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).