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

C20H22N4O2 — CID 25102372

IUPAC4-[[2-(2-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide
SMILESCOc1ccc(-c2cn(Cc3ccc(C(N)=O)cc3)c(CCN)n2)cc1
InChIInChI=1S/C20H22N4O2/c1-26-17-8-6-15(7-9-17)18-13-24(19(23-18)10-11-21)12-14-2-4-16(5-3-14)20(22)25/h2-9,13H,10-12,21H2,1H3,(H2,22,25)
InChIKeyAEWHHFXJHREZLV-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.21
Rot. Bonds7

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

4-[[2-(2-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide (PubChem CID 25102372) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[[2-(2-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(2-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide
PubChem CID25102372
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-[[2-(2-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide
SMILESCOc1ccc(-c2cn(Cc3ccc(C(N)=O)cc3)c(CCN)n2)cc1
InChIInChI=1S/C20H22N4O2/c1-26-17-8-6-15(7-9-17)18-13-24(19(23-18)10-11-21)12-14-2-4-16(5-3-14)20(22)25/h2-9,13H,10-12,21H2,1H3,(H2,22,25)
InChIKeyAEWHHFXJHREZLV-UHFFFAOYSA-N
XLogP2.21
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide?
The IUPAC name of 4-[[2-(2-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide (CID 25102372) is 4-[[2-(2-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[2-(2-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[2-(2-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide is COc1ccc(-c2cn(Cc3ccc(C(N)=O)cc3)c(CCN)n2)cc1.
What is the InChIKey of 4-[[2-(2-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide?
The InChIKey is AEWHHFXJHREZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-26-17-8-6-15(7-9-17)18-13-24(19(23-18)10-11-21)12-14-2-4-16(5-3-14)20(22)25/h2-9,13H,10-12,21H2,1H3,(H2,22,25).
What are the key properties of 4-[[2-(2-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide?
4-[[2-(2-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide is sourced from PubChem (CID 25102372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).