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

C23H28N4O2 — CID 24982174

IUPAC4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cn2cc(-c3ccc(OC)cc3)nc2C(C)N)cc1
InChIInChI=1S/C23H28N4O2/c1-4-13-25-23(28)19-7-5-17(6-8-19)14-27-15-21(26-22(27)16(2)24)18-9-11-20(29-3)12-10-18/h5-12,15-16H,4,13-14,24H2,1-3H3,(H,25,28)
InChIKeyHGAVHMOQVZNVPM-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.77
Rot. Bonds8

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

4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-propylbenzamide (PubChem CID 24982174) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-propylbenzamide
PubChem CID24982174
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cn2cc(-c3ccc(OC)cc3)nc2C(C)N)cc1
InChIInChI=1S/C23H28N4O2/c1-4-13-25-23(28)19-7-5-17(6-8-19)14-27-15-21(26-22(27)16(2)24)18-9-11-20(29-3)12-10-18/h5-12,15-16H,4,13-14,24H2,1-3H3,(H,25,28)
InChIKeyHGAVHMOQVZNVPM-UHFFFAOYSA-N
XLogP3.77
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.77
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-propylbenzamide?
The IUPAC name of 4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-propylbenzamide (CID 24982174) is 4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-propylbenzamide?
The canonical SMILES for 4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-propylbenzamide is CCCNC(=O)c1ccc(Cn2cc(-c3ccc(OC)cc3)nc2C(C)N)cc1.
What is the InChIKey of 4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-propylbenzamide?
The InChIKey is HGAVHMOQVZNVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-13-25-23(28)19-7-5-17(6-8-19)14-27-15-21(26-22(27)16(2)24)18-9-11-20(29-3)12-10-18/h5-12,15-16H,4,13-14,24H2,1-3H3,(H,25,28).
What are the key properties of 4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-propylbenzamide?
4-[[2-(1-aminoethyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]-N-propylbenzamide has a molecular weight of 392.50 g/mol, XLogP of 3.77, 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-propylbenzamide is sourced from PubChem (CID 24982174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).