1-[2-[5-(1H-benzimidazol-2-yl)-6-fluoro-1-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzimidazol-4-yl]oxyethyl]imidazolidin-2-one

C24H25FN8O4 — CID 54398981

IUPAC1-[2-[5-(1H-benzimidazol-2-yl)-6-fluoro-1-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzimidazol-4-yl]oxyethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCOc1c(-c2nc3ccccc3[nH]2)c(F)cc2c1ncn2OCCN1CCNC1=O
InChIInChI=1S/C24H25FN8O4/c25-15-13-18-20(28-14-33(18)37-12-10-32-8-6-27-24(32)35)21(36-11-9-31-7-5-26-23(31)34)19(15)22-29-16-3-1-2-4-17(16)30-22/h1-4,13-14H,5-12H2,(H,26,34)(H,27,35)(H,29,30)
InChIKeyIHEFQPYZILOZRL-UHFFFAOYSA-N
MW508.51 g/mol
LogP1.58
Rot. Bonds9

About 1-[2-[5-(1H-benzimidazol-2-yl)-6-fluoro-1-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzimidazol-4-yl]oxyethyl]imidazolidin-2-one

1-[2-[5-(1H-benzimidazol-2-yl)-6-fluoro-1-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzimidazol-4-yl]oxyethyl]imidazolidin-2-one (PubChem CID 54398981) has the molecular formula C24H25FN8O4 and a molecular weight of 508.51 g/mol. Its IUPAC name is 1-[2-[5-(1H-benzimidazol-2-yl)-6-fluoro-1-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzimidazol-4-yl]oxyethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[5-(1H-benzimidazol-2-yl)-6-fluoro-1-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzimidazol-4-yl]oxyethyl]imidazolidin-2-one
PubChem CID54398981
Molecular FormulaC24H25FN8O4
Molecular Weight508.51 g/mol
Exact Mass508.20
IUPAC Name1-[2-[5-(1H-benzimidazol-2-yl)-6-fluoro-1-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzimidazol-4-yl]oxyethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCOc1c(-c2nc3ccccc3[nH]2)c(F)cc2c1ncn2OCCN1CCNC1=O
InChIInChI=1S/C24H25FN8O4/c25-15-13-18-20(28-14-33(18)37-12-10-32-8-6-27-24(32)35)21(36-11-9-31-7-5-26-23(31)34)19(15)22-29-16-3-1-2-4-17(16)30-22/h1-4,13-14H,5-12H2,(H,26,34)(H,27,35)(H,29,30)
InChIKeyIHEFQPYZILOZRL-UHFFFAOYSA-N
XLogP1.58
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.51
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[2-[5-(1H-benzimidazol-2-yl)-6-fluoro-1-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzimidazol-4-yl]oxyethyl]imidazolidin-2-one with MolForge

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Related Compounds

2-(Trifluoromethyl)-8-(benzylaminomethyl)-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole
CID 9820313
US9918990, Example 2
CID 145866483
(E,6S)-N'-[1-[[4-[(2,4-difluorophenyl)methoxy]-1H-benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]-N,N-dimethyl-6-[(1-methylimidazole-2-carbonyl)amino]hept-2-enediamide
CID 146348667
N-ethyl-2-(5-(4-fluorophenoxy)-2-(pyridin-2-yl)-1H-benzo[d]imidazol-6-yl)pyrrolidine-1-carboxamide
CID 45269441
4-methoxy-2-methyl-5-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazole
CID 10336077
(1R,3S,4S)-N-[4-(dimethylamino)phenyl]-3-[4-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 155547965
(1R,3S,4S)-N-(4-methylphenyl)-3-(4-phenylmethoxy-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 155548856
2-[[4-[2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)ethoxy]-6-fluoro-1H-benzimidazol-2-yl]methyl]-3H-benzimidazole-5-carboximidamide
CID 9825642
1-[2-[6-(4-fluorophenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 23145130
1-[2-[6-[[6-(2-fluorophenyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145259
2-(6-(4-fluoro-phenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl)-pyrrolidine-1-carboxamide
CID 23145349
1-[2-[6-[(6-fluoro-3-pyridinyl)oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145464

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(1H-benzimidazol-2-yl)-6-fluoro-1-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzimidazol-4-yl]oxyethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[5-(1H-benzimidazol-2-yl)-6-fluoro-1-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzimidazol-4-yl]oxyethyl]imidazolidin-2-one (CID 54398981) is 1-[2-[5-(1H-benzimidazol-2-yl)-6-fluoro-1-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzimidazol-4-yl]oxyethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[5-(1H-benzimidazol-2-yl)-6-fluoro-1-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzimidazol-4-yl]oxyethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[5-(1H-benzimidazol-2-yl)-6-fluoro-1-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzimidazol-4-yl]oxyethyl]imidazolidin-2-one is O=C1NCCN1CCOc1c(-c2nc3ccccc3[nH]2)c(F)cc2c1ncn2OCCN1CCNC1=O.
What is the InChIKey of 1-[2-[5-(1H-benzimidazol-2-yl)-6-fluoro-1-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzimidazol-4-yl]oxyethyl]imidazolidin-2-one?
The InChIKey is IHEFQPYZILOZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O4/c25-15-13-18-20(28-14-33(18)37-12-10-32-8-6-27-24(32)35)21(36-11-9-31-7-5-26-23(31)34)19(15)22-29-16-3-1-2-4-17(16)30-22/h1-4,13-14H,5-12H2,(H,26,34)(H,27,35)(H,29,30).
What are the key properties of 1-[2-[5-(1H-benzimidazol-2-yl)-6-fluoro-1-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzimidazol-4-yl]oxyethyl]imidazolidin-2-one?
1-[2-[5-(1H-benzimidazol-2-yl)-6-fluoro-1-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzimidazol-4-yl]oxyethyl]imidazolidin-2-one has a molecular weight of 508.51 g/mol, XLogP of 1.58, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(1H-benzimidazol-2-yl)-6-fluoro-1-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzimidazol-4-yl]oxyethyl]imidazolidin-2-one is sourced from PubChem (CID 54398981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).