3-[5-(3-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-N-(2-phenylethyl)propanamide

C28H29N3O3 — CID 164609181

IUPAC3-[5-(3-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-N-(2-phenylethyl)propanamide
SMILESCOc1cc(-c2cncn2CCC(=O)NCCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C28H29N3O3/c1-33-27-18-24(12-13-26(27)34-20-23-10-6-3-7-11-23)25-19-29-21-31(25)17-15-28(32)30-16-14-22-8-4-2-5-9-22/h2-13,18-19,21H,14-17,20H2,1H3,(H,30,32)
InChIKeyHPAZBVJFTUVKGQ-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.89
Rot. Bonds11

About 3-[5-(3-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-N-(2-phenylethyl)propanamide

3-[5-(3-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-N-(2-phenylethyl)propanamide (PubChem CID 164609181) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-[5-(3-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[5-(3-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-N-(2-phenylethyl)propanamide
PubChem CID164609181
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name3-[5-(3-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-N-(2-phenylethyl)propanamide
SMILESCOc1cc(-c2cncn2CCC(=O)NCCc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C28H29N3O3/c1-33-27-18-24(12-13-26(27)34-20-23-10-6-3-7-11-23)25-19-29-21-31(25)17-15-28(32)30-16-14-22-8-4-2-5-9-22/h2-13,18-19,21H,14-17,20H2,1H3,(H,30,32)
InChIKeyHPAZBVJFTUVKGQ-UHFFFAOYSA-N
XLogP4.89
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[5-(3-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-N-(2-phenylethyl)propanamide (CID 164609181) is 3-[5-(3-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[5-(3-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[5-(3-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-N-(2-phenylethyl)propanamide is COc1cc(-c2cncn2CCC(=O)NCCc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of 3-[5-(3-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-N-(2-phenylethyl)propanamide?
The InChIKey is HPAZBVJFTUVKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-33-27-18-24(12-13-26(27)34-20-23-10-6-3-7-11-23)25-19-29-21-31(25)17-15-28(32)30-16-14-22-8-4-2-5-9-22/h2-13,18-19,21H,14-17,20H2,1H3,(H,30,32).
What are the key properties of 3-[5-(3-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-N-(2-phenylethyl)propanamide?
3-[5-(3-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-N-(2-phenylethyl)propanamide has a molecular weight of 455.56 g/mol, XLogP of 4.89, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 164609181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).