N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide

C20H18F3N3O4S — CID 46569284

IUPACN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c2nccn2C)cc1
InChIInChI=1S/C20H18F3N3O4S/c1-26-12-11-24-18(26)17(13-3-7-15(30-2)8-4-13)25-19(27)14-5-9-16(10-6-14)31(28,29)20(21,22)23/h3-12,17H,1-2H3,(H,25,27)
InChIKeyYZBPANRFIDGFGS-UHFFFAOYSA-N
MW453.44 g/mol
LogP3.24
Rot. Bonds6

About N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 46569284) has the molecular formula C20H18F3N3O4S and a molecular weight of 453.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
PubChem CID46569284
Molecular FormulaC20H18F3N3O4S
Molecular Weight453.44 g/mol
Exact Mass453.10
IUPAC NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c2nccn2C)cc1
InChIInChI=1S/C20H18F3N3O4S/c1-26-12-11-24-18(26)17(13-3-7-15(30-2)8-4-13)25-19(27)14-5-9-16(10-6-14)31(28,29)20(21,22)23/h3-12,17H,1-2H3,(H,25,27)
InChIKeyYZBPANRFIDGFGS-UHFFFAOYSA-N
XLogP3.24
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 46451083
4-benzamido-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46537794
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 42924364
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonyl-3-nitrobenzamide
CID 55457881
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561
4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide
CID 110440273
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 25342034
4-fluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 42924351

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide (CID 46569284) is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide is COc1ccc(C(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c2nccn2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide?
The InChIKey is YZBPANRFIDGFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4S/c1-26-12-11-24-18(26)17(13-3-7-15(30-2)8-4-13)25-19(27)14-5-9-16(10-6-14)31(28,29)20(21,22)23/h3-12,17H,1-2H3,(H,25,27).
What are the key properties of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide?
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 453.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 46569284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).