N-[2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide

C24H19F3N4O2 — CID 70688555

IUPACN-[2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C24H19F3N4O2/c1-15-5-6-17(22-29-13-21(31-22)24(25,26)27)12-20(15)30-23(32)16-7-9-19(10-8-16)33-14-18-4-2-3-11-28-18/h2-13H,14H2,1H3,(H,29,31)(H,30,32)
InChIKeyBQZARCIQCQXWNH-UHFFFAOYSA-N
MW452.44 g/mol
LogP5.63
Rot. Bonds6

About N-[2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide

N-[2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 70688555) has the molecular formula C24H19F3N4O2 and a molecular weight of 452.44 g/mol. Its IUPAC name is N-[2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID70688555
Molecular FormulaC24H19F3N4O2
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC NameN-[2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C24H19F3N4O2/c1-15-5-6-17(22-29-13-21(31-22)24(25,26)27)12-20(15)30-23(32)16-7-9-19(10-8-16)33-14-18-4-2-3-11-28-18/h2-13H,14H2,1H3,(H,29,31)(H,30,32)
InChIKeyBQZARCIQCQXWNH-UHFFFAOYSA-N
XLogP5.63
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.44
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Amg 579
CID 59351313
Azd8542
CID 53344810
N-[5-(1H-Imidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 25253713
Pyridinyl pyrimidine 40
CID 11655925
1h-Benzimidazol-2-Yl(4-{[3-(Morpholin-4-Yl)pyrazin-2-Yl]oxy}phenyl)methanone
CID 46207938
1-[4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59327006
(1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 59351198
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 90298273
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-4-[[6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-yl]amino]benzamide
CID 118706738
N-[5-(1,5-dimethylimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 25181471
N-(5-(1H-imidazol-2-yl)-2-methylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 25253556
N-[2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 67374618

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide (CID 70688555) is N-[2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide is Cc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-[2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is BQZARCIQCQXWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2/c1-15-5-6-17(22-29-13-21(31-22)24(25,26)27)12-20(15)30-23(32)16-7-9-19(10-8-16)33-14-18-4-2-3-11-28-18/h2-13H,14H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N-[2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
N-[2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 452.44 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 70688555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).