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

C22H20F2N4O2S — CID 165108458

IUPAC1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(methoxymethyl)-2,3-dihydrothiophen-3-yl]phenyl]imidazolidin-2-one
SMILESCOCC1=CC(c2ccc(C3CNC(=O)N3c3ccc4nc[nH]c4c3)c(F)c2F)CS1
InChIInChI=1S/C22H20F2N4O2S/c1-30-9-14-6-12(10-31-14)15-3-4-16(21(24)20(15)23)19-8-25-22(29)28(19)13-2-5-17-18(7-13)27-11-26-17/h2-7,11-12,19H,8-10H2,1H3,(H,25,29)(H,26,27)
InChIKeyZNUCOBSZPDWPBM-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.47
Rot. Bonds5

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

1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(methoxymethyl)-2,3-dihydrothiophen-3-yl]phenyl]imidazolidin-2-one (PubChem CID 165108458) has the molecular formula C22H20F2N4O2S and a molecular weight of 442.49 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(methoxymethyl)-2,3-dihydrothiophen-3-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(methoxymethyl)-2,3-dihydrothiophen-3-yl]phenyl]imidazolidin-2-one
PubChem CID165108458
Molecular FormulaC22H20F2N4O2S
Molecular Weight442.49 g/mol
Exact Mass442.13
IUPAC Name1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(methoxymethyl)-2,3-dihydrothiophen-3-yl]phenyl]imidazolidin-2-one
SMILESCOCC1=CC(c2ccc(C3CNC(=O)N3c3ccc4nc[nH]c4c3)c(F)c2F)CS1
InChIInChI=1S/C22H20F2N4O2S/c1-30-9-14-6-12(10-31-14)15-3-4-16(21(24)20(15)23)19-8-25-22(29)28(19)13-2-5-17-18(7-13)27-11-26-17/h2-7,11-12,19H,8-10H2,1H3,(H,25,29)(H,26,27)
InChIKeyZNUCOBSZPDWPBM-UHFFFAOYSA-N
XLogP4.47
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.47
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-[2,3-difluoro-4-[5-(methoxymethyl)-2,3-dihydrothiophen-3-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(methoxymethyl)-2,3-dihydrothiophen-3-yl]phenyl]imidazolidin-2-one (CID 165108458) is 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(methoxymethyl)-2,3-dihydrothiophen-3-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(methoxymethyl)-2,3-dihydrothiophen-3-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(methoxymethyl)-2,3-dihydrothiophen-3-yl]phenyl]imidazolidin-2-one is COCC1=CC(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-(methoxymethyl)-2,3-dihydrothiophen-3-yl]phenyl]imidazolidin-2-one?
The InChIKey is ZNUCOBSZPDWPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2S/c1-30-9-14-6-12(10-31-14)15-3-4-16(21(24)20(15)23)19-8-25-22(29)28(19)13-2-5-17-18(7-13)27-11-26-17/h2-7,11-12,19H,8-10H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(methoxymethyl)-2,3-dihydrothiophen-3-yl]phenyl]imidazolidin-2-one?
1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(methoxymethyl)-2,3-dihydrothiophen-3-yl]phenyl]imidazolidin-2-one has a molecular weight of 442.49 g/mol, XLogP of 4.47, 5 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-[2,3-difluoro-4-[5-(methoxymethyl)-2,3-dihydrothiophen-3-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 165108458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).