1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea

C23H32F3N5O — CID 10182457

IUPAC1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea
SMILESCCCCN(C(=O)NC)C1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2C)CC1
InChIInChI=1S/C23H32F3N5O/c1-4-5-12-31(22(32)27-3)19-10-13-30(14-11-19)15-20-16(2)28-21(29-20)17-6-8-18(9-7-17)23(24,25)26/h6-9,19H,4-5,10-15H2,1-3H3,(H,27,32)(H,28,29)
InChIKeyULYZACOOSVLQFH-UHFFFAOYSA-N
MW451.54 g/mol
LogP4.81
Rot. Bonds7

About 1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea

1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea (PubChem CID 10182457) has the molecular formula C23H32F3N5O and a molecular weight of 451.54 g/mol. Its IUPAC name is 1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea
PubChem CID10182457
Molecular FormulaC23H32F3N5O
Molecular Weight451.54 g/mol
Exact Mass451.26
IUPAC Name1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea
SMILESCCCCN(C(=O)NC)C1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2C)CC1
InChIInChI=1S/C23H32F3N5O/c1-4-5-12-31(22(32)27-3)19-10-13-30(14-11-19)15-20-16(2)28-21(29-20)17-6-8-18(9-7-17)23(24,25)26/h6-9,19H,4-5,10-15H2,1-3H3,(H,27,32)(H,28,29)
InChIKeyULYZACOOSVLQFH-UHFFFAOYSA-N
XLogP4.81
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]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 1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea?
The IUPAC name of 1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea (CID 10182457) is 1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea?
The canonical SMILES for 1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea is CCCCN(C(=O)NC)C1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2C)CC1.
What is the InChIKey of 1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea?
The InChIKey is ULYZACOOSVLQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F3N5O/c1-4-5-12-31(22(32)27-3)19-10-13-30(14-11-19)15-20-16(2)28-21(29-20)17-6-8-18(9-7-17)23(24,25)26/h6-9,19H,4-5,10-15H2,1-3H3,(H,27,32)(H,28,29).
What are the key properties of 1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea?
1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea has a molecular weight of 451.54 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]piperidin-4-yl]urea is sourced from PubChem (CID 10182457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).