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

C17H23FN4O2 — CID 42819710

IUPAC3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea
SMILESCCNC(=O)N(CCOC)Cc1nccn1Cc1cccc(F)c1
InChIInChI=1S/C17H23FN4O2/c1-3-19-17(23)22(9-10-24-2)13-16-20-7-8-21(16)12-14-5-4-6-15(18)11-14/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,19,23)
InChIKeyVHMVCBVSSXTVOH-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.25
Rot. Bonds8

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

3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea (PubChem CID 42819710) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea
PubChem CID42819710
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea
SMILESCCNC(=O)N(CCOC)Cc1nccn1Cc1cccc(F)c1
InChIInChI=1S/C17H23FN4O2/c1-3-19-17(23)22(9-10-24-2)13-16-20-7-8-21(16)12-14-5-4-6-15(18)11-14/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,19,23)
InChIKeyVHMVCBVSSXTVOH-UHFFFAOYSA-N
XLogP2.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea
CID 42819947
3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42819196
1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
CID 42819707
3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
CID 42819679
3-methoxy-N-(2-methoxyethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819848
1-[[1-[(2-chloro-6-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)-3-propan-2-ylurea
CID 42819154
2-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42819195
3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
CID 42819600
N-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 24712897
2-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethyl-1-[(3-fluorophenyl)methyl]-1-methylguanidine
CID 111285825
N-(2-methoxyethyl)-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 42819438
N-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylcyclopropanecarboxamide
CID 42819519

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea?
The IUPAC name of 3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea (CID 42819710) is 3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea is CCNC(=O)N(CCOC)Cc1nccn1Cc1cccc(F)c1.
What is the InChIKey of 3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea?
The InChIKey is VHMVCBVSSXTVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-3-19-17(23)22(9-10-24-2)13-16-20-7-8-21(16)12-14-5-4-6-15(18)11-14/h4-8,11H,3,9-10,12-13H2,1-2H3,(H,19,23).
What are the key properties of 3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea?
3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea has a molecular weight of 334.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea is sourced from PubChem (CID 42819710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).