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

C21H16F2N4O2S — CID 146422716

IUPAC1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one
SMILESO=C1NCC(c2ccc(-c3csc(CO)c3)c(F)c2F)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C21H16F2N4O2S/c22-19-14(11-5-13(8-28)30-9-11)2-3-15(20(19)23)18-7-24-21(29)27(18)12-1-4-16-17(6-12)26-10-25-16/h1-6,9-10,18,28H,7-8H2,(H,24,29)(H,25,26)
InChIKeyUJGWSQKWAJFGHF-UHFFFAOYSA-N
MW426.45 g/mol
LogP4.33
Rot. Bonds4

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

1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one (PubChem CID 146422716) has the molecular formula C21H16F2N4O2S and a molecular weight of 426.45 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one
PubChem CID146422716
Molecular FormulaC21H16F2N4O2S
Molecular Weight426.45 g/mol
Exact Mass426.10
IUPAC Name1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one
SMILESO=C1NCC(c2ccc(-c3csc(CO)c3)c(F)c2F)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C21H16F2N4O2S/c22-19-14(11-5-13(8-28)30-9-11)2-3-15(20(19)23)18-7-24-21(29)27(18)12-1-4-16-17(6-12)26-10-25-16/h1-6,9-10,18,28H,7-8H2,(H,24,29)(H,25,26)
InChIKeyUJGWSQKWAJFGHF-UHFFFAOYSA-N
XLogP4.33
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one (CID 146422716) is 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one is O=C1NCC(c2ccc(-c3csc(CO)c3)c(F)c2F)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one?
The InChIKey is UJGWSQKWAJFGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2S/c22-19-14(11-5-13(8-28)30-9-11)2-3-15(20(19)23)18-7-24-21(29)27(18)12-1-4-16-17(6-12)26-10-25-16/h1-6,9-10,18,28H,7-8H2,(H,24,29)(H,25,26).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one?
1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one has a molecular weight of 426.45 g/mol, XLogP of 4.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 146422716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).