N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide

C20H23N3O2 — CID 82240501

IUPACN-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(C(C)(C)C(=O)Nc2ccc(C3=NCCN3)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-20(2,15-6-10-17(25-3)11-7-15)19(24)23-16-8-4-14(5-9-16)18-21-12-13-22-18/h4-11H,12-13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyZKABTZIFNMNKCE-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.96
Rot. Bonds5

About N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide

N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide (PubChem CID 82240501) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide
PubChem CID82240501
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(C(C)(C)C(=O)Nc2ccc(C3=NCCN3)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-20(2,15-6-10-17(25-3)11-7-15)19(24)23-16-8-4-14(5-9-16)18-21-12-13-22-18/h4-11H,12-13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyZKABTZIFNMNKCE-UHFFFAOYSA-N
XLogP2.96
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide (CID 82240501) is N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide is COc1ccc(C(C)(C)C(=O)Nc2ccc(C3=NCCN3)cc2)cc1.
What is the InChIKey of N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide?
The InChIKey is ZKABTZIFNMNKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-20(2,15-6-10-17(25-3)11-7-15)19(24)23-16-8-4-14(5-9-16)18-21-12-13-22-18/h4-11H,12-13H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide?
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide has a molecular weight of 337.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 82240501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).