1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one

C26H31N5O — CID 112840896

IUPAC1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(N3CCNC3=O)CC2)cc1C
InChIInChI=1S/C26H31N5O/c1-19-8-9-21(16-20(19)2)25-22(18-31(28-25)24-6-4-3-5-7-24)17-29-13-10-23(11-14-29)30-15-12-27-26(30)32/h3-9,16,18,23H,10-15,17H2,1-2H3,(H,27,32)
InChIKeyQTHGDGQDRVNBHN-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.15
Rot. Bonds5

About 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 112840896) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID112840896
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(N3CCNC3=O)CC2)cc1C
InChIInChI=1S/C26H31N5O/c1-19-8-9-21(16-20(19)2)25-22(18-31(28-25)24-6-4-3-5-7-24)17-29-13-10-23(11-14-29)30-15-12-27-26(30)32/h3-9,16,18,23H,10-15,17H2,1-2H3,(H,27,32)
InChIKeyQTHGDGQDRVNBHN-UHFFFAOYSA-N
XLogP4.15
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one (CID 112840896) is 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one is Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(N3CCNC3=O)CC2)cc1C.
What is the InChIKey of 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is QTHGDGQDRVNBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-19-8-9-21(16-20(19)2)25-22(18-31(28-25)24-6-4-3-5-7-24)17-29-13-10-23(11-14-29)30-15-12-27-26(30)32/h3-9,16,18,23H,10-15,17H2,1-2H3,(H,27,32).
What are the key properties of 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 429.57 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 112840896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).