3-[2-(2-aminoethyl)-4-(4-methylphenyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide

C23H28N4O — CID 24979604

IUPAC3-[2-(2-aminoethyl)-4-(4-methylphenyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCn2cc(-c3ccc(C)cc3)nc2CCN)cc1
InChIInChI=1S/C23H28N4O/c1-17-3-7-19(8-4-17)15-25-23(28)12-14-27-16-21(26-22(27)11-13-24)20-9-5-18(2)6-10-20/h3-10,16H,11-15,24H2,1-2H3,(H,25,28)
InChIKeyNXYSEQVXVNYSLT-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.37
Rot. Bonds8

About 3-[2-(2-aminoethyl)-4-(4-methylphenyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide

3-[2-(2-aminoethyl)-4-(4-methylphenyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 24979604) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[2-(2-aminoethyl)-4-(4-methylphenyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(2-aminoethyl)-4-(4-methylphenyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID24979604
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name3-[2-(2-aminoethyl)-4-(4-methylphenyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCn2cc(-c3ccc(C)cc3)nc2CCN)cc1
InChIInChI=1S/C23H28N4O/c1-17-3-7-19(8-4-17)15-25-23(28)12-14-27-16-21(26-22(27)11-13-24)20-9-5-18(2)6-10-20/h3-10,16H,11-15,24H2,1-2H3,(H,25,28)
InChIKeyNXYSEQVXVNYSLT-UHFFFAOYSA-N
XLogP3.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethyl)-4-(4-methylphenyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[2-(2-aminoethyl)-4-(4-methylphenyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide (CID 24979604) is 3-[2-(2-aminoethyl)-4-(4-methylphenyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[2-(2-aminoethyl)-4-(4-methylphenyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[2-(2-aminoethyl)-4-(4-methylphenyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCn2cc(-c3ccc(C)cc3)nc2CCN)cc1.
What is the InChIKey of 3-[2-(2-aminoethyl)-4-(4-methylphenyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is NXYSEQVXVNYSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17-3-7-19(8-4-17)15-25-23(28)12-14-27-16-21(26-22(27)11-13-24)20-9-5-18(2)6-10-20/h3-10,16H,11-15,24H2,1-2H3,(H,25,28).
What are the key properties of 3-[2-(2-aminoethyl)-4-(4-methylphenyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide?
3-[2-(2-aminoethyl)-4-(4-methylphenyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 376.50 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethyl)-4-(4-methylphenyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 24979604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).