N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide

C20H19F2N3O2S — CID 55770626

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1ccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C20H19F2N3O2S/c1-24(13-14-3-9-17(10-4-14)27-19(21)22)18(26)15-5-7-16(8-6-15)25-12-11-23-20(25)28-2/h3-12,19H,13H2,1-2H3
InChIKeyDCWAKCNXVKWWOD-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.47
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide (PubChem CID 55770626) has the molecular formula C20H19F2N3O2S and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide
PubChem CID55770626
Molecular FormulaC20H19F2N3O2S
Molecular Weight403.45 g/mol
Exact Mass403.12
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCSc1nccn1-c1ccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C20H19F2N3O2S/c1-24(13-14-3-9-17(10-4-14)27-19(21)22)18(26)15-5-7-16(8-6-15)25-12-11-23-20(25)28-2/h3-12,19H,13H2,1-2H3
InChIKeyDCWAKCNXVKWWOD-UHFFFAOYSA-N
XLogP4.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide
CID 55518274
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 30944934
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 56510089
4-(difluoromethoxy)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide
CID 70751227
N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55770624
N-[[4-(difluoromethoxy)phenyl]methyl]-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31238666
4-(difluoromethoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454317
4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide
CID 39913342
N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 134059081
4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 86929112
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55767153

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide (CID 55770626) is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide is CSc1nccn1-c1ccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide?
The InChIKey is DCWAKCNXVKWWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2S/c1-24(13-14-3-9-17(10-4-14)27-19(21)22)18(26)15-5-7-16(8-6-15)25-12-11-23-20(25)28-2/h3-12,19H,13H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide has a molecular weight of 403.45 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide is sourced from PubChem (CID 55770626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).