1-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one

C21H22ClN3OS — CID 45271760

IUPAC1-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one
SMILESCN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cc2ccccc2s1
InChIInChI=1S/C21H22ClN3OS/c1-23(15-19-13-16-5-2-3-8-20(16)27-19)9-10-24-11-12-25(21(24)26)18-7-4-6-17(22)14-18/h2-8,13-14H,9-12,15H2,1H3
InChIKeyLOCFLSUOTBZXEU-UHFFFAOYSA-N
MW399.95 g/mol
LogP4.93
Rot. Bonds6

About 1-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one

1-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one (PubChem CID 45271760) has the molecular formula C21H22ClN3OS and a molecular weight of 399.95 g/mol. Its IUPAC name is 1-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one
PubChem CID45271760
Molecular FormulaC21H22ClN3OS
Molecular Weight399.95 g/mol
Exact Mass399.12
IUPAC Name1-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one
SMILESCN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cc2ccccc2s1
InChIInChI=1S/C21H22ClN3OS/c1-23(15-19-13-16-5-2-3-8-20(16)27-19)9-10-24-11-12-25(21(24)26)18-7-4-6-17(22)14-18/h2-8,13-14H,9-12,15H2,1H3
InChIKeyLOCFLSUOTBZXEU-UHFFFAOYSA-N
XLogP4.93
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.95
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one?
The IUPAC name of 1-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one (CID 45271760) is 1-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one is CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cc2ccccc2s1.
What is the InChIKey of 1-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one?
The InChIKey is LOCFLSUOTBZXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3OS/c1-23(15-19-13-16-5-2-3-8-20(16)27-19)9-10-24-11-12-25(21(24)26)18-7-4-6-17(22)14-18/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 1-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one?
1-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one has a molecular weight of 399.95 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-benzothiophen-2-ylmethyl(methyl)amino]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 45271760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).