N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C18H18F3N5O2 — CID 55453203

IUPACN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccccc1C(NC(=O)Cn1ccc(C(F)(F)F)n1)c1nccn1C
InChIInChI=1S/C18H18F3N5O2/c1-25-10-8-22-17(25)16(12-5-3-4-6-13(12)28-2)23-15(27)11-26-9-7-14(24-26)18(19,20)21/h3-10,16H,11H2,1-2H3,(H,23,27)
InChIKeyNSXSAJKBEKEOOR-UHFFFAOYSA-N
MW393.37 g/mol
LogP2.55
Rot. Bonds6

About N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 55453203) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID55453203
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccccc1C(NC(=O)Cn1ccc(C(F)(F)F)n1)c1nccn1C
InChIInChI=1S/C18H18F3N5O2/c1-25-10-8-22-17(25)16(12-5-3-4-6-13(12)28-2)23-15(27)11-26-9-7-14(24-26)18(19,20)21/h3-10,16H,11H2,1-2H3,(H,23,27)
InChIKeyNSXSAJKBEKEOOR-UHFFFAOYSA-N
XLogP2.55
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
2-(3-fluorophenyl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25389585
2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269495
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057
2-(3-hydroxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 86865733
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86912245
2-cyclopentyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47014735
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 51269487
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-nitrophenyl)acetamide
CID 51269428
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 55453203) is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1ccccc1C(NC(=O)Cn1ccc(C(F)(F)F)n1)c1nccn1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is NSXSAJKBEKEOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c1-25-10-8-22-17(25)16(12-5-3-4-6-13(12)28-2)23-15(27)11-26-9-7-14(24-26)18(19,20)21/h3-10,16H,11H2,1-2H3,(H,23,27).
What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 393.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 55453203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).