1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one

C20H21N3O — CID 11617365

IUPAC1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one
SMILESNCCc1cnc(C(=O)CC(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C20H21N3O/c21-12-11-17-14-22-20(23-17)19(24)13-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,18H,11-13,21H2,(H,22,23)
InChIKeyXMVGWUSUPONDIL-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.32
Rot. Bonds7

About 1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one

1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one (PubChem CID 11617365) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one
PubChem CID11617365
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one
SMILESNCCc1cnc(C(=O)CC(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C20H21N3O/c21-12-11-17-14-22-20(23-17)19(24)13-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,18H,11-13,21H2,(H,22,23)
InChIKeyXMVGWUSUPONDIL-UHFFFAOYSA-N
XLogP3.32
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one (CID 11617365) is 1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one is NCCc1cnc(C(=O)CC(c2ccccc2)c2ccccc2)[nH]1.
What is the InChIKey of 1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one?
The InChIKey is XMVGWUSUPONDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c21-12-11-17-14-22-20(23-17)19(24)13-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,18H,11-13,21H2,(H,22,23).
What are the key properties of 1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one?
1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one has a molecular weight of 319.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 11617365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).