4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide

C27H25N3O3 — CID 70261449

IUPAC4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cn1-c1ccccc1)c1ccc(CCC2OCCO2)cc1
InChIInChI=1S/C27H25N3O3/c31-26(22-14-11-20(12-15-22)13-16-25-32-17-18-33-25)29-27-28-24(21-7-3-1-4-8-21)19-30(27)23-9-5-2-6-10-23/h1-12,14-15,19,25H,13,16-18H2,(H,28,29,31)
InChIKeyMHZFUPLZVCFPDG-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.10
Rot. Bonds7

About 4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide

4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide (PubChem CID 70261449) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide
PubChem CID70261449
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cn1-c1ccccc1)c1ccc(CCC2OCCO2)cc1
InChIInChI=1S/C27H25N3O3/c31-26(22-14-11-20(12-15-22)13-16-25-32-17-18-33-25)29-27-28-24(21-7-3-1-4-8-21)19-30(27)23-9-5-2-6-10-23/h1-12,14-15,19,25H,13,16-18H2,(H,28,29,31)
InChIKeyMHZFUPLZVCFPDG-UHFFFAOYSA-N
XLogP5.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(1-methyl-5-phenylimidazol-2-yl)benzamide
CID 168294651
4-(1-phenyl-1H-imidazol-4-yl)-N-(2-pyridin-4-ylethyl)benzamide
CID 90653841
N-[1-(3-fluorophenyl)-4-phenylimidazol-2-yl]-4-(trifluoromethyl)benzamide
CID 163368839
N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 42826402
N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 42826428
N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42826432
N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 42828191
4-methyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide
CID 42829748
N-[1-(4-Fluorophenyl)-4-phenyl-1H-imidazol-2-YL]-2-[1-(4-methylphenyl)-N-(prop-2-EN-1-YL)formamido]acetamide
CID 45992125
N-(1,4-Diphenyl-1H-imidazol-2-YL)-2-[1-(4-fluorophenyl)-N-[(oxolan-2-YL)methyl]formamido]acetamide
CID 45992396
N-(1,4-Diphenyl-1H-imidazol-2-YL)-2-[1-(2-fluorophenyl)-N-[(oxolan-2-YL)methyl]formamido]acetamide
CID 45992406
N-[1-(3-Fluoro-4-methylphenyl)-4-phenyl-1H-imidazol-2-YL]-2-[1-(4-methylphenyl)-N-[(oxolan-2-YL)methyl]formamido]acetamide
CID 45994360

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide?
The IUPAC name of 4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide (CID 70261449) is 4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide.
What is the SMILES notation for 4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide?
The canonical SMILES for 4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2)cn1-c1ccccc1)c1ccc(CCC2OCCO2)cc1.
What is the InChIKey of 4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide?
The InChIKey is MHZFUPLZVCFPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c31-26(22-14-11-20(12-15-22)13-16-25-32-17-18-33-25)29-27-28-24(21-7-3-1-4-8-21)19-30(27)23-9-5-2-6-10-23/h1-12,14-15,19,25H,13,16-18H2,(H,28,29,31).
What are the key properties of 4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide?
4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide has a molecular weight of 439.52 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dioxolan-2-yl)ethyl]-N-(1,4-diphenylimidazol-2-yl)benzamide is sourced from PubChem (CID 70261449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).