5-[4-(5-chlorothiophen-2-yl)-2,6-difluorophenyl]-1-(3H-indol-6-yl)imidazolidin-2-one

C21H14ClF2N3OS — CID 158180050

IUPAC5-[4-(5-chlorothiophen-2-yl)-2,6-difluorophenyl]-1-(3H-indol-6-yl)imidazolidin-2-one
SMILESO=C1NCC(c2c(F)cc(-c3ccc(Cl)s3)cc2F)N1c1ccc2c(c1)N=CC2
InChIInChI=1S/C21H14ClF2N3OS/c22-19-4-3-18(29-19)12-7-14(23)20(15(24)8-12)17-10-26-21(28)27(17)13-2-1-11-5-6-25-16(11)9-13/h1-4,6-9,17H,5,10H2,(H,26,28)
InChIKeyINAPTKURYLZBGX-UHFFFAOYSA-N
MW429.88 g/mol
LogP5.88
Rot. Bonds3

About 5-[4-(5-chlorothiophen-2-yl)-2,6-difluorophenyl]-1-(3H-indol-6-yl)imidazolidin-2-one

5-[4-(5-chlorothiophen-2-yl)-2,6-difluorophenyl]-1-(3H-indol-6-yl)imidazolidin-2-one (PubChem CID 158180050) has the molecular formula C21H14ClF2N3OS and a molecular weight of 429.88 g/mol. Its IUPAC name is 5-[4-(5-chlorothiophen-2-yl)-2,6-difluorophenyl]-1-(3H-indol-6-yl)imidazolidin-2-one.

Molecular Properties

Compound Name5-[4-(5-chlorothiophen-2-yl)-2,6-difluorophenyl]-1-(3H-indol-6-yl)imidazolidin-2-one
PubChem CID158180050
Molecular FormulaC21H14ClF2N3OS
Molecular Weight429.88 g/mol
Exact Mass429.05
IUPAC Name5-[4-(5-chlorothiophen-2-yl)-2,6-difluorophenyl]-1-(3H-indol-6-yl)imidazolidin-2-one
SMILESO=C1NCC(c2c(F)cc(-c3ccc(Cl)s3)cc2F)N1c1ccc2c(c1)N=CC2
InChIInChI=1S/C21H14ClF2N3OS/c22-19-4-3-18(29-19)12-7-14(23)20(15(24)8-12)17-10-26-21(28)27(17)13-2-1-11-5-6-25-16(11)9-13/h1-4,6-9,17H,5,10H2,(H,26,28)
InChIKeyINAPTKURYLZBGX-UHFFFAOYSA-N
XLogP5.88
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.88
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-chlorothiophen-2-yl)-2,6-difluorophenyl]-1-(3H-indol-6-yl)imidazolidin-2-one?
The IUPAC name of 5-[4-(5-chlorothiophen-2-yl)-2,6-difluorophenyl]-1-(3H-indol-6-yl)imidazolidin-2-one (CID 158180050) is 5-[4-(5-chlorothiophen-2-yl)-2,6-difluorophenyl]-1-(3H-indol-6-yl)imidazolidin-2-one.
What is the SMILES notation for 5-[4-(5-chlorothiophen-2-yl)-2,6-difluorophenyl]-1-(3H-indol-6-yl)imidazolidin-2-one?
The canonical SMILES for 5-[4-(5-chlorothiophen-2-yl)-2,6-difluorophenyl]-1-(3H-indol-6-yl)imidazolidin-2-one is O=C1NCC(c2c(F)cc(-c3ccc(Cl)s3)cc2F)N1c1ccc2c(c1)N=CC2.
What is the InChIKey of 5-[4-(5-chlorothiophen-2-yl)-2,6-difluorophenyl]-1-(3H-indol-6-yl)imidazolidin-2-one?
The InChIKey is INAPTKURYLZBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N3OS/c22-19-4-3-18(29-19)12-7-14(23)20(15(24)8-12)17-10-26-21(28)27(17)13-2-1-11-5-6-25-16(11)9-13/h1-4,6-9,17H,5,10H2,(H,26,28).
What are the key properties of 5-[4-(5-chlorothiophen-2-yl)-2,6-difluorophenyl]-1-(3H-indol-6-yl)imidazolidin-2-one?
5-[4-(5-chlorothiophen-2-yl)-2,6-difluorophenyl]-1-(3H-indol-6-yl)imidazolidin-2-one has a molecular weight of 429.88 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-chlorothiophen-2-yl)-2,6-difluorophenyl]-1-(3H-indol-6-yl)imidazolidin-2-one is sourced from PubChem (CID 158180050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).