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

C18H25FN4O — CID 42819600

IUPAC3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
SMILESCCNC(=O)N(Cc1nccn1Cc1ccccc1F)CC(C)C
InChIInChI=1S/C18H25FN4O/c1-4-20-18(24)23(11-14(2)3)13-17-21-9-10-22(17)12-15-7-5-6-8-16(15)19/h5-10,14H,4,11-13H2,1-3H3,(H,20,24)
InChIKeyVDCWUTVPIJYRHS-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.26
Rot. Bonds7

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

3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea (PubChem CID 42819600) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
PubChem CID42819600
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
SMILESCCNC(=O)N(Cc1nccn1Cc1ccccc1F)CC(C)C
InChIInChI=1S/C18H25FN4O/c1-4-20-18(24)23(11-14(2)3)13-17-21-9-10-22(17)12-15-7-5-6-8-16(15)19/h5-10,14H,4,11-13H2,1-3H3,(H,20,24)
InChIKeyVDCWUTVPIJYRHS-UHFFFAOYSA-N
XLogP3.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide
CID 42819212
3-ethyl-1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
CID 42819679
N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide
CID 24712684
3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 46139787
2-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42819195
3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42819196
1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea
CID 24712336
N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 42818627
3-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea
CID 42819710
1-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-phenylurea
CID 42819668
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42819298
N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223730

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea?
The IUPAC name of 3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea (CID 42819600) is 3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea.
What is the SMILES notation for 3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea?
The canonical SMILES for 3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea is CCNC(=O)N(Cc1nccn1Cc1ccccc1F)CC(C)C.
What is the InChIKey of 3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea?
The InChIKey is VDCWUTVPIJYRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-4-20-18(24)23(11-14(2)3)13-17-21-9-10-22(17)12-15-7-5-6-8-16(15)19/h5-10,14H,4,11-13H2,1-3H3,(H,20,24).
What are the key properties of 3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea?
3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea has a molecular weight of 332.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea is sourced from PubChem (CID 42819600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).