2-ethoxy-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide

C25H22FN3O2 — CID 42691454

IUPAC2-ethoxy-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C25H22FN3O2/c1-2-31-23-6-4-3-5-21(23)25(30)28-15-17-7-9-19(10-8-17)24-27-16-22(29-24)18-11-13-20(26)14-12-18/h3-14,16H,2,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyONIYNGQUZOZBLK-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.21
Rot. Bonds7

About 2-ethoxy-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide

2-ethoxy-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide (PubChem CID 42691454) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-ethoxy-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
PubChem CID42691454
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC Name2-ethoxy-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C25H22FN3O2/c1-2-31-23-6-4-3-5-21(23)25(30)28-15-17-7-9-19(10-8-17)24-27-16-22(29-24)18-11-13-20(26)14-12-18/h3-14,16H,2,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyONIYNGQUZOZBLK-UHFFFAOYSA-N
XLogP5.21
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Eluxadoline
CID 11250029
5-(1-methyl-1H-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide
CID 118189551
Dhodh-IN-20
CID 156249421
5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-N-[2-(trideuteriomethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 166630831
2-ethoxy-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)benzamide
CID 7080312
[1-(3H-Imidazol-4-ylmethyl)-7-pyridin-4-yl-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-(2-trifluoromethoxy-phenyl)-methanone
CID 10051380
N-(5-(1H-imidazol-2-yl)-2-methylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 25253556
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(3-methoxybiphenyl-4-yl)methanone
CID 44565606
(4-Fluorophenyl)(2-(4-methoxyphenyl)-1H-imidazol-4-yl)methanone
CID 49787836
(4-fluorophenyl)-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]methanone
CID 49787989
N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide
CID 52912227
2-[2-[(4-carbamimidoylanilino)-(5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)methyl]-1H-imidazol-5-yl]-N-methylbenzamide
CID 57804057

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The IUPAC name of 2-ethoxy-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide (CID 42691454) is 2-ethoxy-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide is CCOc1ccccc1C(=O)NCc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)cc1.
What is the InChIKey of 2-ethoxy-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The InChIKey is ONIYNGQUZOZBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-2-31-23-6-4-3-5-21(23)25(30)28-15-17-7-9-19(10-8-17)24-27-16-22(29-24)18-11-13-20(26)14-12-18/h3-14,16H,2,15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 2-ethoxy-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
2-ethoxy-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide has a molecular weight of 415.47 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 42691454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).