3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea

C25H31F3N6O — CID 142173126

IUPAC3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea
SMILESCNC(=O)N(Cc1ccncc1)C1CCN(CC2=C(C)NC(c3ccc(C(F)(F)F)cc3)N2)CC1
InChIInChI=1S/C25H31F3N6O/c1-17-22(32-23(31-17)19-3-5-20(6-4-19)25(26,27)28)16-33-13-9-21(10-14-33)34(24(35)29-2)15-18-7-11-30-12-8-18/h3-8,11-12,21,23,31-32H,9-10,13-16H2,1-2H3,(H,29,35)
InChIKeyVIPKJPUHMRNTJP-UHFFFAOYSA-N
MW488.56 g/mol
LogP3.83
Rot. Bonds6

About 3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea

3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea (PubChem CID 142173126) has the molecular formula C25H31F3N6O and a molecular weight of 488.56 g/mol. Its IUPAC name is 3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea
PubChem CID142173126
Molecular FormulaC25H31F3N6O
Molecular Weight488.56 g/mol
Exact Mass488.25
IUPAC Name3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea
SMILESCNC(=O)N(Cc1ccncc1)C1CCN(CC2=C(C)NC(c3ccc(C(F)(F)F)cc3)N2)CC1
InChIInChI=1S/C25H31F3N6O/c1-17-22(32-23(31-17)19-3-5-20(6-4-19)25(26,27)28)16-33-13-9-21(10-14-33)34(24(35)29-2)15-18-7-11-30-12-8-18/h3-8,11-12,21,23,31-32H,9-10,13-16H2,1-2H3,(H,29,35)
InChIKeyVIPKJPUHMRNTJP-UHFFFAOYSA-N
XLogP3.83
TPSA72.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea 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 3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea (CID 142173126) is 3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea is CNC(=O)N(Cc1ccncc1)C1CCN(CC2=C(C)NC(c3ccc(C(F)(F)F)cc3)N2)CC1.
What is the InChIKey of 3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea?
The InChIKey is VIPKJPUHMRNTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N6O/c1-17-22(32-23(31-17)19-3-5-20(6-4-19)25(26,27)28)16-33-13-9-21(10-14-33)34(24(35)29-2)15-18-7-11-30-12-8-18/h3-8,11-12,21,23,31-32H,9-10,13-16H2,1-2H3,(H,29,35).
What are the key properties of 3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea?
3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea has a molecular weight of 488.56 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 142173126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).