N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C23H31N5O3 — CID 36806139

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCc1nc3ccccc3[nH]1)C2=O
InChIInChI=1S/C23H31N5O3/c1-22(2,3)15-8-11-23(12-9-15)20(30)28(21(31)27-23)14-19(29)24-13-10-18-25-16-6-4-5-7-17(16)26-18/h4-7,15H,8-14H2,1-3H3,(H,24,29)(H,25,26)(H,27,31)
InChIKeyZNSZTABOGOPHRP-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.75
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 36806139) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID36806139
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCc1nc3ccccc3[nH]1)C2=O
InChIInChI=1S/C23H31N5O3/c1-22(2,3)15-8-11-23(12-9-15)20(30)28(21(31)27-23)14-19(29)24-13-10-18-25-16-6-4-5-7-17(16)26-18/h4-7,15H,8-14H2,1-3H3,(H,24,29)(H,25,26)(H,27,31)
InChIKeyZNSZTABOGOPHRP-UHFFFAOYSA-N
XLogP2.75
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 36806139) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCc1nc3ccccc3[nH]1)C2=O.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is ZNSZTABOGOPHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-22(2,3)15-8-11-23(12-9-15)20(30)28(21(31)27-23)14-19(29)24-13-10-18-25-16-6-4-5-7-17(16)26-18/h4-7,15H,8-14H2,1-3H3,(H,24,29)(H,25,26)(H,27,31).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 425.53 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 36806139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).