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

C20H22ClN3O — CID 11617364

IUPAC1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one;hydrochloride
SMILESCl.NCCc1cnc(C(=O)CC(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C20H21N3O.ClH/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);1H
InChIKeyFWBQNUXUIMGPPM-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.74
Rot. Bonds7

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

1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one;hydrochloride (PubChem CID 11617364) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one;hydrochloride
PubChem CID11617364
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one;hydrochloride
SMILESCl.NCCc1cnc(C(=O)CC(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C20H21N3O.ClH/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);1H
InChIKeyFWBQNUXUIMGPPM-UHFFFAOYSA-N
XLogP3.74
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-[[5-(3,3-diphenylpropanoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid
CID 157120624
(2S)-2-amino-3-[2-[(3S)-3-amino-3-(4-methoxyphenyl)propanoyl]-1H-imidazol-5-yl]propanoic acid
CID 140539812
(3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one
CID 50901499
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
(2-acetyl-1H-imidazol-5-yl)methyl benzoate
CID 159771076
(3R)-3-(3-hydroxyphenyl)-1,3-diphenylpropan-1-one
CID 102451950
3-(1,3-benzodioxol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide
CID 45237619
(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
CID 86338470
2-[2-[(2-fluorophenoxy)methyl]-1H-imidazol-5-yl]ethanamine
CID 95451026
(3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide
CID 42097118
3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride
CID 22758884
3-amino-3-phenyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104618213

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one;hydrochloride?
The IUPAC name of 1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one;hydrochloride (CID 11617364) is 1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one;hydrochloride is Cl.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;hydrochloride?
The InChIKey is FWBQNUXUIMGPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O.ClH/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);1H.
What are the key properties of 1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one;hydrochloride?
1-[5-(2-aminoethyl)-1H-imidazol-2-yl]-3,3-diphenylpropan-1-one;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 3.74, 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;hydrochloride is sourced from PubChem (CID 11617364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).