1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-(5-methylthiophen-3-yl)phenyl]imidazolidin-2-one

C21H16F2N4OS — CID 146422655

IUPAC1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-(5-methylthiophen-3-yl)phenyl]imidazolidin-2-one
SMILESCc1cc(-c2ccc(C3CNC(=O)N3c3ccc4nc[nH]c4c3)c(F)c2F)cs1
InChIInChI=1S/C21H16F2N4OS/c1-11-6-12(9-29-11)14-3-4-15(20(23)19(14)22)18-8-24-21(28)27(18)13-2-5-16-17(7-13)26-10-25-16/h2-7,9-10,18H,8H2,1H3,(H,24,28)(H,25,26)
InChIKeyMLXZBUUWFHSYQD-UHFFFAOYSA-N
MW410.45 g/mol
LogP5.15
Rot. Bonds3

About 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-(5-methylthiophen-3-yl)phenyl]imidazolidin-2-one

1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-(5-methylthiophen-3-yl)phenyl]imidazolidin-2-one (PubChem CID 146422655) has the molecular formula C21H16F2N4OS and a molecular weight of 410.45 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-(5-methylthiophen-3-yl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-(5-methylthiophen-3-yl)phenyl]imidazolidin-2-one
PubChem CID146422655
Molecular FormulaC21H16F2N4OS
Molecular Weight410.45 g/mol
Exact Mass410.10
IUPAC Name1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-(5-methylthiophen-3-yl)phenyl]imidazolidin-2-one
SMILESCc1cc(-c2ccc(C3CNC(=O)N3c3ccc4nc[nH]c4c3)c(F)c2F)cs1
InChIInChI=1S/C21H16F2N4OS/c1-11-6-12(9-29-11)14-3-4-15(20(23)19(14)22)18-8-24-21(28)27(18)13-2-5-16-17(7-13)26-10-25-16/h2-7,9-10,18H,8H2,1H3,(H,24,28)(H,25,26)
InChIKeyMLXZBUUWFHSYQD-UHFFFAOYSA-N
XLogP5.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-(5-methylthiophen-3-yl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-(5-methylthiophen-3-yl)phenyl]imidazolidin-2-one (CID 146422655) is 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-(5-methylthiophen-3-yl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-(5-methylthiophen-3-yl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-(5-methylthiophen-3-yl)phenyl]imidazolidin-2-one is Cc1cc(-c2ccc(C3CNC(=O)N3c3ccc4nc[nH]c4c3)c(F)c2F)cs1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-(5-methylthiophen-3-yl)phenyl]imidazolidin-2-one?
The InChIKey is MLXZBUUWFHSYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4OS/c1-11-6-12(9-29-11)14-3-4-15(20(23)19(14)22)18-8-24-21(28)27(18)13-2-5-16-17(7-13)26-10-25-16/h2-7,9-10,18H,8H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-(5-methylthiophen-3-yl)phenyl]imidazolidin-2-one?
1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-(5-methylthiophen-3-yl)phenyl]imidazolidin-2-one has a molecular weight of 410.45 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-(5-methylthiophen-3-yl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 146422655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).