2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide

C21H17F6N3O2 — CID 72543944

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1-n1cnc(C)c1
InChIInChI=1S/C21H17F6N3O2/c1-12-10-30(11-28-12)17-4-3-16(9-18(17)32-2)29-19(31)7-13-5-14(20(22,23)24)8-15(6-13)21(25,26)27/h3-6,8-11H,7H2,1-2H3,(H,29,31)
InChIKeyYRTAZAMKCJZAPT-UHFFFAOYSA-N
MW457.37 g/mol
LogP5.41
Rot. Bonds5

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide (PubChem CID 72543944) has the molecular formula C21H17F6N3O2 and a molecular weight of 457.37 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide
PubChem CID72543944
Molecular FormulaC21H17F6N3O2
Molecular Weight457.37 g/mol
Exact Mass457.12
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1-n1cnc(C)c1
InChIInChI=1S/C21H17F6N3O2/c1-12-10-30(11-28-12)17-4-3-16(9-18(17)32-2)29-19(31)7-13-5-14(20(22,23)24)8-15(6-13)21(25,26)27/h3-6,8-11H,7H2,1-2H3,(H,29,31)
InChIKeyYRTAZAMKCJZAPT-UHFFFAOYSA-N
XLogP5.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.37
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea
CID 24855699
1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea
CID 24855735
(Z)-5-amino-3-[1-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]ethenylimino]-5-[4-(trifluoromethyl)phenyl]pent-4-en-2-one
CID 173286641
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea
CID 24855696
3-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide
CID 67807911
ethyl 2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 25107424
1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea;2,2,2-trifluoroacetic acid
CID 68594242
2-[2-methoxy-4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 166400672
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 153216978
2-(3,4-dichlorocyclohexa-1,5-dien-1-yl)-N-[4-methoxy-3-(4-methylimidazol-1-yl)phenyl]acetamide
CID 88983098
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 67702026

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide (CID 72543944) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide is COc1cc(NC(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide?
The InChIKey is YRTAZAMKCJZAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F6N3O2/c1-12-10-30(11-28-12)17-4-3-16(9-18(17)32-2)29-19(31)7-13-5-14(20(22,23)24)8-15(6-13)21(25,26)27/h3-6,8-11H,7H2,1-2H3,(H,29,31).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide has a molecular weight of 457.37 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 72543944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).