1-(3H-benzimidazol-5-yl)-5-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]imidazolidin-2-one

C24H26N4O3 — CID 58229125

IUPAC1-(3H-benzimidazol-5-yl)-5-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]imidazolidin-2-one
SMILESO=C1NCC(c2ccc(C3CCC4(CC3)OCCO4)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C24H26N4O3/c29-23-25-14-22(28(23)19-5-6-20-21(13-19)27-15-26-20)18-3-1-16(2-4-18)17-7-9-24(10-8-17)30-11-12-31-24/h1-6,13,15,17,22H,7-12,14H2,(H,25,29)(H,26,27)
InChIKeyDSXSWQJTOIMTMY-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.23
Rot. Bonds3

About 1-(3H-benzimidazol-5-yl)-5-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]imidazolidin-2-one

1-(3H-benzimidazol-5-yl)-5-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]imidazolidin-2-one (PubChem CID 58229125) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]imidazolidin-2-one
PubChem CID58229125
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-(3H-benzimidazol-5-yl)-5-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]imidazolidin-2-one
SMILESO=C1NCC(c2ccc(C3CCC4(CC3)OCCO4)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C24H26N4O3/c29-23-25-14-22(28(23)19-5-6-20-21(13-19)27-15-26-20)18-3-1-16(2-4-18)17-7-9-24(10-8-17)30-11-12-31-24/h1-6,13,15,17,22H,7-12,14H2,(H,25,29)(H,26,27)
InChIKeyDSXSWQJTOIMTMY-UHFFFAOYSA-N
XLogP4.23
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.23
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-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]imidazolidin-2-one (CID 58229125) is 1-(3H-benzimidazol-5-yl)-5-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]imidazolidin-2-one is O=C1NCC(c2ccc(C3CCC4(CC3)OCCO4)cc2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]imidazolidin-2-one?
The InChIKey is DSXSWQJTOIMTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-23-25-14-22(28(23)19-5-6-20-21(13-19)27-15-26-20)18-3-1-16(2-4-18)17-7-9-24(10-8-17)30-11-12-31-24/h1-6,13,15,17,22H,7-12,14H2,(H,25,29)(H,26,27).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]imidazolidin-2-one?
1-(3H-benzimidazol-5-yl)-5-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]imidazolidin-2-one has a molecular weight of 418.50 g/mol, XLogP of 4.23, 3 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-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 58229125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).