N-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-N-(3-phenylpropyl)acetamide

C23H24N4O — CID 54394082

IUPACN-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-N-(3-phenylpropyl)acetamide
SMILESCC(=O)N(CCCc1ccccc1)C(Cc1ccc(C#N)cc1)c1cnc[nH]1
InChIInChI=1S/C23H24N4O/c1-18(28)27(13-5-8-19-6-3-2-4-7-19)23(22-16-25-17-26-22)14-20-9-11-21(15-24)12-10-20/h2-4,6-7,9-12,16-17,23H,5,8,13-14H2,1H3,(H,25,26)
InChIKeyVIRXQKHQWDEJQQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.05
Rot. Bonds8

About N-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-N-(3-phenylpropyl)acetamide

N-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-N-(3-phenylpropyl)acetamide (PubChem CID 54394082) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-N-(3-phenylpropyl)acetamide
PubChem CID54394082
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-N-(3-phenylpropyl)acetamide
SMILESCC(=O)N(CCCc1ccccc1)C(Cc1ccc(C#N)cc1)c1cnc[nH]1
InChIInChI=1S/C23H24N4O/c1-18(28)27(13-5-8-19-6-3-2-4-7-19)23(22-16-25-17-26-22)14-20-9-11-21(15-24)12-10-20/h2-4,6-7,9-12,16-17,23H,5,8,13-14H2,1H3,(H,25,26)
InChIKeyVIRXQKHQWDEJQQ-UHFFFAOYSA-N
XLogP4.05
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of N-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-N-(3-phenylpropyl)acetamide (CID 54394082) is N-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for N-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for N-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-N-(3-phenylpropyl)acetamide is CC(=O)N(CCCc1ccccc1)C(Cc1ccc(C#N)cc1)c1cnc[nH]1.
What is the InChIKey of N-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-N-(3-phenylpropyl)acetamide?
The InChIKey is VIRXQKHQWDEJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-18(28)27(13-5-8-19-6-3-2-4-7-19)23(22-16-25-17-26-22)14-20-9-11-21(15-24)12-10-20/h2-4,6-7,9-12,16-17,23H,5,8,13-14H2,1H3,(H,25,26).
What are the key properties of N-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-N-(3-phenylpropyl)acetamide?
N-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-N-(3-phenylpropyl)acetamide has a molecular weight of 372.47 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 54394082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).