1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea

C15H18F2N4O — CID 86998907

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea
SMILESCC(NC(=O)N(C)Cc1nccn1C(F)F)c1ccccc1
InChIInChI=1S/C15H18F2N4O/c1-11(12-6-4-3-5-7-12)19-15(22)20(2)10-13-18-8-9-21(13)14(16)17/h3-9,11,14H,10H2,1-2H3,(H,19,22)
InChIKeyWFXABZBDEQGBIL-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.18
Rot. Bonds5

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea (PubChem CID 86998907) has the molecular formula C15H18F2N4O and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea
PubChem CID86998907
Molecular FormulaC15H18F2N4O
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea
SMILESCC(NC(=O)N(C)Cc1nccn1C(F)F)c1ccccc1
InChIInChI=1S/C15H18F2N4O/c1-11(12-6-4-3-5-7-12)19-15(22)20(2)10-13-18-8-9-21(13)14(16)17/h3-9,11,14H,10H2,1-2H3,(H,19,22)
InChIKeyWFXABZBDEQGBIL-UHFFFAOYSA-N
XLogP3.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 87003618
3-[2-(benzenesulfonyl)ethyl]-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylurea
CID 87038968
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-1-methylurea
CID 129392780
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylnaphthalene-2-carboxamide
CID 38342160
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(3-phenothiazin-10-ylpropyl)urea
CID 78891238
tert-butyl N-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 78848789
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 86999028
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea
CID 38216175
3-(2-aminophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpropanamide;dihydrochloride
CID 120612493
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide
CID 38341753
2-(4-chlorophenyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
CID 134044459
4-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-N-phenylbenzamide
CID 87013843

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea (CID 86998907) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea is CC(NC(=O)N(C)Cc1nccn1C(F)F)c1ccccc1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea?
The InChIKey is WFXABZBDEQGBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O/c1-11(12-6-4-3-5-7-12)19-15(22)20(2)10-13-18-8-9-21(13)14(16)17/h3-9,11,14H,10H2,1-2H3,(H,19,22).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea has a molecular weight of 308.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(1-phenylethyl)urea is sourced from PubChem (CID 86998907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).