Bepridil Hydrochloride

C24H35ClN2O — CID 50088

IUPACN-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;hydrochloride
SMILESCC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.Cl
InChIInChI=1S/C24H34N2O.ClH/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22;/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3;1H
InChIKeyJXBBWYGMTNAYNM-UHFFFAOYSA-N
MW403.00 g/mol
LogP—
Rot. Bonds10

About Bepridil Hydrochloride

Bepridil Hydrochloride (PubChem CID 50088) has the molecular formula C24H35ClN2O and a molecular weight of 403.00 g/mol. Its IUPAC name is N-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;hydrochloride.

Molecular Properties

Compound NameBepridil Hydrochloride
PubChem CID50088
Molecular FormulaC24H35ClN2O
Molecular Weight403.00 g/mol
Exact Mass402.24
IUPAC NameN-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;hydrochloride
SMILESCC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.Cl
InChIInChI=1S/C24H34N2O.ClH/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22;/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3;1H
InChIKeyJXBBWYGMTNAYNM-UHFFFAOYSA-N
XLogP—
TPSA15.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity382

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bepridil
CID 2351
Histapyrrodine
CID 68122
Vascor
CID 91725
Bepridil, (S)-
CID 445143
Bepridil, (R)-
CID 16048570
4-[2-[4-(4-Pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethyl]morpholine
CID 76325789
[4-[2-[2-[4-(diaminomethyl)-N-methylanilino]ethoxy]ethyl-methylamino]phenyl]methanediamine
CID 122182338
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethoxyethyl)aniline
CID 166629061
(3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine
CID 44203789
2-Pyrrolidinemethanamine, N-methyl-1-phenyl-N-(3-phenylpropyl)-, monohydrochloride, (-)-
CID 3072407
(3R,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine
CID 21149454
(3S,5R)-N,N-dimethyl-1,5-diphenylpyrrolidin-3-amine
CID 90677526

Frequently Asked Questions

What is the IUPAC name of Bepridil Hydrochloride?
The IUPAC name of Bepridil Hydrochloride (CID 50088) is N-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;hydrochloride.
What is the SMILES notation for Bepridil Hydrochloride?
The canonical SMILES for Bepridil Hydrochloride is CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.Cl.
What is the InChIKey of Bepridil Hydrochloride?
The InChIKey is JXBBWYGMTNAYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O.ClH/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22;/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3;1H.
What are the key properties of Bepridil Hydrochloride?
Bepridil Hydrochloride has a molecular weight of 403.00 g/mol, XLogP of not available, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Bepridil Hydrochloride is sourced from PubChem (CID 50088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).