1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea

C15H24F2N4O3 — CID 78887315

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea
SMILESCN(Cc1nccn1C(F)F)C(=O)NCCCOCC1CCCO1
InChIInChI=1S/C15H24F2N4O3/c1-20(10-13-18-6-7-21(13)14(16)17)15(22)19-5-3-8-23-11-12-4-2-9-24-12/h6-7,12,14H,2-5,8-11H2,1H3,(H,19,22)
InChIKeyJIJHSGYFWATVLG-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.01
Rot. Bonds9

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea (PubChem CID 78887315) has the molecular formula C15H24F2N4O3 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea
PubChem CID78887315
Molecular FormulaC15H24F2N4O3
Molecular Weight346.38 g/mol
Exact Mass346.18
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea
SMILESCN(Cc1nccn1C(F)F)C(=O)NCCCOCC1CCCO1
InChIInChI=1S/C15H24F2N4O3/c1-20(10-13-18-6-7-21(13)14(16)17)15(22)19-5-3-8-23-11-12-4-2-9-24-12/h6-7,12,14H,2-5,8-11H2,1H3,(H,19,22)
InChIKeyJIJHSGYFWATVLG-UHFFFAOYSA-N
XLogP2.01
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea with MolForge

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Related Compounds

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(3-phenothiazin-10-ylpropyl)urea
CID 78891238
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
N-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 42949411
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 86999028
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
CID 61251530
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 119120768
1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide
CID 94179237
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea
CID 38216175
4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylbenzamide
CID 38343741
3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 38343857
1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1,3-thiazol-2-yl)urea
CID 47148470
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea (CID 78887315) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea is CN(Cc1nccn1C(F)F)C(=O)NCCCOCC1CCCO1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea?
The InChIKey is JIJHSGYFWATVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N4O3/c1-20(10-13-18-6-7-21(13)14(16)17)15(22)19-5-3-8-23-11-12-4-2-9-24-12/h6-7,12,14H,2-5,8-11H2,1H3,(H,19,22).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea has a molecular weight of 346.38 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]urea is sourced from PubChem (CID 78887315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).