N-[[3-[4-(difluoromethoxy)phenyl]-4-fluorophenyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide

C22H22F3N3O2 — CID 50899822

IUPACN-[[3-[4-(difluoromethoxy)phenyl]-4-fluorophenyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)N(Cc1ccc(F)c(-c2ccc(OC(F)F)cc2)c1)C(=O)c1cn(C)cn1
InChIInChI=1S/C22H22F3N3O2/c1-14(2)28(21(29)20-12-27(3)13-26-20)11-15-4-9-19(23)18(10-15)16-5-7-17(8-6-16)30-22(24)25/h4-10,12-14,22H,11H2,1-3H3
InChIKeyGVCMZPMHQNBIOS-UHFFFAOYSA-N
MW417.43 g/mol
LogP4.88
Rot. Bonds7

About N-[[3-[4-(difluoromethoxy)phenyl]-4-fluorophenyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide

N-[[3-[4-(difluoromethoxy)phenyl]-4-fluorophenyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide (PubChem CID 50899822) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is N-[[3-[4-(difluoromethoxy)phenyl]-4-fluorophenyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[4-(difluoromethoxy)phenyl]-4-fluorophenyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide
PubChem CID50899822
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC NameN-[[3-[4-(difluoromethoxy)phenyl]-4-fluorophenyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)N(Cc1ccc(F)c(-c2ccc(OC(F)F)cc2)c1)C(=O)c1cn(C)cn1
InChIInChI=1S/C22H22F3N3O2/c1-14(2)28(21(29)20-12-27(3)13-26-20)11-15-4-9-19(23)18(10-15)16-5-7-17(8-6-16)30-22(24)25/h4-10,12-14,22H,11H2,1-3H3
InChIKeyGVCMZPMHQNBIOS-UHFFFAOYSA-N
XLogP4.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide
CID 56943997
N-[[3-(4-chlorophenyl)-4-fluorophenyl]methyl]-2-methyl-N-propan-2-yl-1H-imidazole-5-carboxamide
CID 123718647
N-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide
CID 56944388
N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 66888537
3-[4-(difluoromethoxy)phenyl]-N-(3,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 90157455
2-[4-(difluoromethoxy)phenyl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572897
4-[4-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxylic acid
CID 166273929
1-ethyl-N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-ylimidazole-4-carboxamide;N-[[2-(4-fluorophenyl)-4-pyridinyl]methyl]-N-propan-2-yl-1H-imidazole-5-carboxamide
CID 160744473
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51201885
4-[4-[4-(difluoromethoxy)phenyl]-5-fluoro-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 129018710
3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole
CID 151277815
5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 34976198

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(difluoromethoxy)phenyl]-4-fluorophenyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide?
The IUPAC name of N-[[3-[4-(difluoromethoxy)phenyl]-4-fluorophenyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide (CID 50899822) is N-[[3-[4-(difluoromethoxy)phenyl]-4-fluorophenyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide.
What is the SMILES notation for N-[[3-[4-(difluoromethoxy)phenyl]-4-fluorophenyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide?
The canonical SMILES for N-[[3-[4-(difluoromethoxy)phenyl]-4-fluorophenyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide is CC(C)N(Cc1ccc(F)c(-c2ccc(OC(F)F)cc2)c1)C(=O)c1cn(C)cn1.
What is the InChIKey of N-[[3-[4-(difluoromethoxy)phenyl]-4-fluorophenyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide?
The InChIKey is GVCMZPMHQNBIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-14(2)28(21(29)20-12-27(3)13-26-20)11-15-4-9-19(23)18(10-15)16-5-7-17(8-6-16)30-22(24)25/h4-10,12-14,22H,11H2,1-3H3.
What are the key properties of N-[[3-[4-(difluoromethoxy)phenyl]-4-fluorophenyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide?
N-[[3-[4-(difluoromethoxy)phenyl]-4-fluorophenyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(difluoromethoxy)phenyl]-4-fluorophenyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 50899822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).