1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea

C20H20F2N4O3 — CID 56553693

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
SMILESCc1c[nH]c(=O)n1-c1ccccc1NC(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H20F2N4O3/c1-13-11-23-19(27)26(13)17-6-4-3-5-16(17)24-20(28)25(2)12-14-7-9-15(10-8-14)29-18(21)22/h3-11,18H,12H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyGDWRCHRBJINVJG-UHFFFAOYSA-N
MW402.40 g/mol
LogP3.74
Rot. Bonds6

About 1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea

1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea (PubChem CID 56553693) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
PubChem CID56553693
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
SMILESCc1c[nH]c(=O)n1-c1ccccc1NC(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H20F2N4O3/c1-13-11-23-19(27)26(13)17-6-4-3-5-16(17)24-20(28)25(2)12-14-7-9-15(10-8-14)29-18(21)22/h3-11,18H,12H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyGDWRCHRBJINVJG-UHFFFAOYSA-N
XLogP3.74
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea with MolForge

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Related Compounds

1-[[4-(difluoromethoxy)phenyl]methyl]-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea
CID 47033804
3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 27868239
1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea
CID 47040862
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 51255380
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]-1-methylurea
CID 86916189
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 2475782
3-[4-(4-cyanophenoxy)phenyl]-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 60591675
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[3-(dimethylsulfamoyl)phenyl]-1-methylurea
CID 55696852
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 24546994
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
CID 115587549
3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86988400
N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 134059081

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea (CID 56553693) is 1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea is Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)N(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
The InChIKey is GDWRCHRBJINVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c1-13-11-23-19(27)26(13)17-6-4-3-5-16(17)24-20(28)25(2)12-14-7-9-15(10-8-14)29-18(21)22/h3-11,18H,12H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea has a molecular weight of 402.40 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea is sourced from PubChem (CID 56553693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).