1-(3H-benzimidazol-5-yl)-5-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one

C23H20F2N4O2S — CID 146422823

IUPAC1-(3H-benzimidazol-5-yl)-5-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one
SMILESCCOCc1cc(-c2ccc(C3CNC(=O)N3c3ccc4nc[nH]c4c3)c(F)c2F)cs1
InChIInChI=1S/C23H20F2N4O2S/c1-2-31-10-15-7-13(11-32-15)16-4-5-17(22(25)21(16)24)20-9-26-23(30)29(20)14-3-6-18-19(8-14)28-12-27-18/h3-8,11-12,20H,2,9-10H2,1H3,(H,26,30)(H,27,28)
InChIKeyGOWSJYNVDIYZNQ-UHFFFAOYSA-N
MW454.50 g/mol
LogP5.38
Rot. Bonds6

About 1-(3H-benzimidazol-5-yl)-5-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one

1-(3H-benzimidazol-5-yl)-5-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one (PubChem CID 146422823) has the molecular formula C23H20F2N4O2S and a molecular weight of 454.50 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one
PubChem CID146422823
Molecular FormulaC23H20F2N4O2S
Molecular Weight454.50 g/mol
Exact Mass454.13
IUPAC Name1-(3H-benzimidazol-5-yl)-5-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one
SMILESCCOCc1cc(-c2ccc(C3CNC(=O)N3c3ccc4nc[nH]c4c3)c(F)c2F)cs1
InChIInChI=1S/C23H20F2N4O2S/c1-2-31-10-15-7-13(11-32-15)16-4-5-17(22(25)21(16)24)20-9-26-23(30)29(20)14-3-6-18-19(8-14)28-12-27-18/h3-8,11-12,20H,2,9-10H2,1H3,(H,26,30)(H,27,28)
InChIKeyGOWSJYNVDIYZNQ-UHFFFAOYSA-N
XLogP5.38
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.50
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one (CID 146422823) is 1-(3H-benzimidazol-5-yl)-5-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one is CCOCc1cc(-c2ccc(C3CNC(=O)N3c3ccc4nc[nH]c4c3)c(F)c2F)cs1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one?
The InChIKey is GOWSJYNVDIYZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2S/c1-2-31-10-15-7-13(11-32-15)16-4-5-17(22(25)21(16)24)20-9-26-23(30)29(20)14-3-6-18-19(8-14)28-12-27-18/h3-8,11-12,20H,2,9-10H2,1H3,(H,26,30)(H,27,28).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one?
1-(3H-benzimidazol-5-yl)-5-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one has a molecular weight of 454.50 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one is sourced from PubChem (CID 146422823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).