5-[[2-(methylaminomethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride

C22H24ClN3O2 — CID 45265277

IUPAC5-[[2-(methylaminomethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride
SMILESCNCc1nccn1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl
InChIInChI=1S/C22H23N3O2.ClH/c1-23-15-20-24-12-13-25(20)16-19-14-22(21(26)27-19,17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2-13,19,23H,14-16H2,1H3;1H
InChIKeyKIGLPWCJKOUEOU-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.33
Rot. Bonds6

About 5-[[2-(methylaminomethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride

5-[[2-(methylaminomethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride (PubChem CID 45265277) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 5-[[2-(methylaminomethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride.

Molecular Properties

Compound Name5-[[2-(methylaminomethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride
PubChem CID45265277
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name5-[[2-(methylaminomethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride
SMILESCNCc1nccn1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl
InChIInChI=1S/C22H23N3O2.ClH/c1-23-15-20-24-12-13-25(20)16-19-14-22(21(26)27-19,17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2-13,19,23H,14-16H2,1H3;1H
InChIKeyKIGLPWCJKOUEOU-UHFFFAOYSA-N
XLogP3.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(methylaminomethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The IUPAC name of 5-[[2-(methylaminomethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride (CID 45265277) is 5-[[2-(methylaminomethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride.
What is the SMILES notation for 5-[[2-(methylaminomethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The canonical SMILES for 5-[[2-(methylaminomethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride is CNCc1nccn1CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1.Cl.
What is the InChIKey of 5-[[2-(methylaminomethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The InChIKey is KIGLPWCJKOUEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2.ClH/c1-23-15-20-24-12-13-25(20)16-19-14-22(21(26)27-19,17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2-13,19,23H,14-16H2,1H3;1H.
What are the key properties of 5-[[2-(methylaminomethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
5-[[2-(methylaminomethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride has a molecular weight of 397.91 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(methylaminomethyl)imidazol-1-yl]methyl]-3,3-diphenyloxolan-2-one;hydrochloride is sourced from PubChem (CID 45265277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).