N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide

C28H27FN4O3 — CID 42826402

IUPACN-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
SMILESCOCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C28H27FN4O3/c1-20-8-10-22(11-9-20)27(35)32(16-17-36-2)19-26(34)31-28-30-25(21-6-4-3-5-7-21)18-33(28)24-14-12-23(29)13-15-24/h3-15,18H,16-17,19H2,1-2H3,(H,30,31,34)
InChIKeyHRUZVYSLPWDYES-UHFFFAOYSA-N
MW486.55 g/mol
LogP4.71
Rot. Bonds9

About N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide

N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide (PubChem CID 42826402) has the molecular formula C28H27FN4O3 and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
PubChem CID42826402
Molecular FormulaC28H27FN4O3
Molecular Weight486.55 g/mol
Exact Mass486.21
IUPAC NameN-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
SMILESCOCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C28H27FN4O3/c1-20-8-10-22(11-9-20)27(35)32(16-17-36-2)19-26(34)31-28-30-25(21-6-4-3-5-7-21)18-33(28)24-14-12-23(29)13-15-24/h3-15,18H,16-17,19H2,1-2H3,(H,30,31,34)
InChIKeyHRUZVYSLPWDYES-UHFFFAOYSA-N
XLogP4.71
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide?
The IUPAC name of N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide (CID 42826402) is N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide.
What is the SMILES notation for N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide?
The canonical SMILES for N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide is COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide?
The InChIKey is HRUZVYSLPWDYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O3/c1-20-8-10-22(11-9-20)27(35)32(16-17-36-2)19-26(34)31-28-30-25(21-6-4-3-5-7-21)18-33(28)24-14-12-23(29)13-15-24/h3-15,18H,16-17,19H2,1-2H3,(H,30,31,34).
What are the key properties of N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide?
N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide has a molecular weight of 486.55 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide is sourced from PubChem (CID 42826402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).