N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide

C15H17F2N3O3 — CID 38342197

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2nccn2C(F)F)c(OC)c1
InChIInChI=1S/C15H17F2N3O3/c1-19(9-13-18-6-7-20(13)15(16)17)14(21)11-5-4-10(22-2)8-12(11)23-3/h4-8,15H,9H2,1-3H3
InChIKeyQITGHQGCIUJFKV-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.57
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide (PubChem CID 38342197) has the molecular formula C15H17F2N3O3 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide
PubChem CID38342197
Molecular FormulaC15H17F2N3O3
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2nccn2C(F)F)c(OC)c1
InChIInChI=1S/C15H17F2N3O3/c1-19(9-13-18-6-7-20(13)15(16)17)14(21)11-5-4-10(22-2)8-12(11)23-3/h4-8,15H,9H2,1-3H3
InChIKeyQITGHQGCIUJFKV-UHFFFAOYSA-N
XLogP2.57
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 38341610
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 38341813
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea
CID 38216175
1-cyclohexyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methoxy-N,2-dimethylindole-3-carboxamide
CID 112815461
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylnaphthalene-2-carboxamide
CID 38342160
2-hydroxy-5-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717793
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(2,4-dimethoxyphenyl)methyl]-2-methylguanidine
CID 111878525
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 38302528
3-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 38343857
[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-5-methoxyphenyl]methanol
CID 43267887
2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 18115021

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide (CID 38342197) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2nccn2C(F)F)c(OC)c1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide?
The InChIKey is QITGHQGCIUJFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3/c1-19(9-13-18-6-7-20(13)15(16)17)14(21)11-5-4-10(22-2)8-12(11)23-3/h4-8,15H,9H2,1-3H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide has a molecular weight of 325.32 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 38342197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).