1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C16H27F2N5O — CID 86999028

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCN(Cc1nccn1C(F)F)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H27F2N5O/c1-15(2)8-11(9-16(3,4)21-15)20-14(24)22(5)10-12-19-6-7-23(12)13(17)18/h6-7,11,13,21H,8-10H2,1-5H3,(H,20,24)
InChIKeyRHKXGYPKICKCFZ-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.73
Rot. Bonds4

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 86999028) has the molecular formula C16H27F2N5O and a molecular weight of 343.42 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID86999028
Molecular FormulaC16H27F2N5O
Molecular Weight343.42 g/mol
Exact Mass343.22
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCN(Cc1nccn1C(F)F)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C16H27F2N5O/c1-15(2)8-11(9-16(3,4)21-15)20-14(24)22(5)10-12-19-6-7-23(12)13(17)18/h6-7,11,13,21H,8-10H2,1-5H3,(H,20,24)
InChIKeyRHKXGYPKICKCFZ-UHFFFAOYSA-N
XLogP2.73
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-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

Related Compounds

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-1-methylurea
CID 129392780
2,2-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 134050130
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea
CID 86998907
1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425498
1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119853720
4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide
CID 38343741
3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 38343857
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119853701
3-[2-(benzenesulfonyl)ethyl]-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylurea
CID 87038968
1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 86861324
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 78887315
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine
CID 66184805

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 86999028) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CN(Cc1nccn1C(F)F)C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is RHKXGYPKICKCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2N5O/c1-15(2)8-11(9-16(3,4)21-15)20-14(24)22(5)10-12-19-6-7-23(12)13(17)18/h6-7,11,13,21H,8-10H2,1-5H3,(H,20,24).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 343.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 86999028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).