4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide

C28H30N4O2 — CID 24982204

IUPAC4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc(-c2cn(Cc3ccc(C(=O)NCc4ccc(C)cc4)cc3)c(C(C)N)n2)cc1
InChIInChI=1S/C28H30N4O2/c1-19-4-6-21(7-5-19)16-30-28(33)24-10-8-22(9-11-24)17-32-18-26(31-27(32)20(2)29)23-12-14-25(34-3)15-13-23/h4-15,18,20H,16-17,29H2,1-3H3,(H,30,33)
InChIKeyFTBLOZSHCQOWOR-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.87
Rot. Bonds8

About 4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide

4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 24982204) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID24982204
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc(-c2cn(Cc3ccc(C(=O)NCc4ccc(C)cc4)cc3)c(C(C)N)n2)cc1
InChIInChI=1S/C28H30N4O2/c1-19-4-6-21(7-5-19)16-30-28(33)24-10-8-22(9-11-24)17-32-18-26(31-27(32)20(2)29)23-12-14-25(34-3)15-13-23/h4-15,18,20H,16-17,29H2,1-3H3,(H,30,33)
InChIKeyFTBLOZSHCQOWOR-UHFFFAOYSA-N
XLogP4.87
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide (CID 24982204) is 4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide is COc1ccc(-c2cn(Cc3ccc(C(=O)NCc4ccc(C)cc4)cc3)c(C(C)N)n2)cc1.
What is the InChIKey of 4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is FTBLOZSHCQOWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-19-4-6-21(7-5-19)16-30-28(33)24-10-8-22(9-11-24)17-32-18-26(31-27(32)20(2)29)23-12-14-25(34-3)15-13-23/h4-15,18,20H,16-17,29H2,1-3H3,(H,30,33).
What are the key properties of 4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide?
4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 454.57 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 24982204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).