3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea

C18H23F3N4O2 — CID 42819947

IUPAC3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea
SMILESCCNC(=O)N(CCOC)Cc1nccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H23F3N4O2/c1-3-22-17(26)25(9-10-27-2)13-16-23-7-8-24(16)12-14-5-4-6-15(11-14)18(19,20)21/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,22,26)
InChIKeyQWUQLIUINVNFCJ-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.13
Rot. Bonds8

About 3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea

3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea (PubChem CID 42819947) has the molecular formula C18H23F3N4O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea
PubChem CID42819947
Molecular FormulaC18H23F3N4O2
Molecular Weight384.40 g/mol
Exact Mass384.18
IUPAC Name3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea
SMILESCCNC(=O)N(CCOC)Cc1nccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H23F3N4O2/c1-3-22-17(26)25(9-10-27-2)13-16-23-7-8-24(16)12-14-5-4-6-15(11-14)18(19,20)21/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,22,26)
InChIKeyQWUQLIUINVNFCJ-UHFFFAOYSA-N
XLogP3.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea
CID 42819710
3-methoxy-N-(2-methoxyethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819848
N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819855
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
N-(2-methoxyethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]benzamide
CID 3582787
3-bromo-N-(2-methoxyethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]benzamide
CID 42763514
1-benzyl-3-ethyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea
CID 3651212
3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
CID 42819679
3-(3,5-dimethoxyphenyl)-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea
CID 5112092
N-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide
CID 46140653
3-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea
CID 4004296
4-chloro-N-(2-methoxyethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]benzamide
CID 3987815

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea?
The IUPAC name of 3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea (CID 42819947) is 3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea.
What is the SMILES notation for 3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea?
The canonical SMILES for 3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea is CCNC(=O)N(CCOC)Cc1nccn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea?
The InChIKey is QWUQLIUINVNFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O2/c1-3-22-17(26)25(9-10-27-2)13-16-23-7-8-24(16)12-14-5-4-6-15(11-14)18(19,20)21/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,22,26).
What are the key properties of 3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea?
3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea has a molecular weight of 384.40 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea is sourced from PubChem (CID 42819947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).