3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide

C20H18F3N3O3 — CID 66791237

IUPAC3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cccc(OC(F)(F)F)c2)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H18F3N3O3/c1-13-11-26(12-25-13)17-7-6-15(9-18(17)28-2)19(27)24-10-14-4-3-5-16(8-14)29-20(21,22)23/h3-9,11-12H,10H2,1-2H3,(H,24,27)
InChIKeyWCXBNTJTBHMQNQ-UHFFFAOYSA-N
MW405.38 g/mol
LogP4.02
Rot. Bonds6

About 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide

3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 66791237) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID66791237
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC Name3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cccc(OC(F)(F)F)c2)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H18F3N3O3/c1-13-11-26(12-25-13)17-7-6-15(9-18(17)28-2)19(27)24-10-14-4-3-5-16(8-14)29-20(21,22)23/h3-9,11-12H,10H2,1-2H3,(H,24,27)
InChIKeyWCXBNTJTBHMQNQ-UHFFFAOYSA-N
XLogP4.02
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
CID 10142418
tert-butyl N-[[2-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]acetyl]amino]carbamate
CID 66790958
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide
CID 66791241
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide
CID 162043031
3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55743105
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 153216978
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575944
3-methoxy-N-[(3-methoxyphenyl)methyl]-4-(5-methyl-1H-pyrazol-4-yl)benzamide
CID 90353897

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide (CID 66791237) is 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide is COc1cc(C(=O)NCc2cccc(OC(F)(F)F)c2)ccc1-n1cnc(C)c1.
What is the InChIKey of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is WCXBNTJTBHMQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-13-11-26(12-25-13)17-7-6-15(9-18(17)28-2)19(27)24-10-14-4-3-5-16(8-14)29-20(21,22)23/h3-9,11-12H,10H2,1-2H3,(H,24,27).
What are the key properties of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide?
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 405.38 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 66791237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).