1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea

C18H23F3N4O — CID 125435794

IUPAC1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESCC(C)[C@@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)c1nccn1C
InChIInChI=1S/C18H23F3N4O/c1-12(2)15(16-22-8-9-24(16)3)23-17(26)25(4)11-13-6-5-7-14(10-13)18(19,20)21/h5-10,12,15H,11H2,1-4H3,(H,23,26)/t15-/m1/s1
InChIKeyNNEIOVUCBRQMQM-OAHLLOKOSA-N
MW368.40 g/mol
LogP3.98
Rot. Bonds5

About 1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea

1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 125435794) has the molecular formula C18H23F3N4O and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea
PubChem CID125435794
Molecular FormulaC18H23F3N4O
Molecular Weight368.40 g/mol
Exact Mass368.18
IUPAC Name1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESCC(C)[C@@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)c1nccn1C
InChIInChI=1S/C18H23F3N4O/c1-12(2)15(16-22-8-9-24(16)3)23-17(26)25(4)11-13-6-5-7-14(10-13)18(19,20)21/h5-10,12,15H,11H2,1-4H3,(H,23,26)/t15-/m1/s1
InChIKeyNNEIOVUCBRQMQM-OAHLLOKOSA-N
XLogP3.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
CID 125437107
3-(1-ethyl-1,2,4-triazol-3-yl)-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 46986444
1-methyl-3-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-methyloxetan-3-yl)methyl]urea
CID 122571679
1-benzyl-1-(cyclobutylmethyl)-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
CID 125438467
1-methyl-3-(1,2-oxazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 167858306
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 124849944
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 124849945
1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 122569454
3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119737530
N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 60502342
N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 74238312
1-methyl-3-(1H-pyrazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 47071993

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea (CID 125435794) is 1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea is CC(C)[C@@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)c1nccn1C.
What is the InChIKey of 1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is NNEIOVUCBRQMQM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23F3N4O/c1-12(2)15(16-22-8-9-24(16)3)23-17(26)25(4)11-13-6-5-7-14(10-13)18(19,20)21/h5-10,12,15H,11H2,1-4H3,(H,23,26)/t15-/m1/s1.
What are the key properties of 1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea?
1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 368.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[[3-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 125435794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).