N-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C20H25N5O3 — CID 134044696

IUPACN-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCn1c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)nc2ccccc21
InChIInChI=1S/C20H25N5O3/c1-3-24-15-7-5-4-6-14(15)21-18(24)22-16(26)12-25-17(27)20(23-19(25)28)10-8-13(2)9-11-20/h4-7,13H,3,8-12H2,1-2H3,(H,23,28)(H,21,22,26)
InChIKeyZRITYPDPRQLXEG-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.50
Rot. Bonds4

About N-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 134044696) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID134044696
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCn1c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)nc2ccccc21
InChIInChI=1S/C20H25N5O3/c1-3-24-15-7-5-4-6-14(15)21-18(24)22-16(26)12-25-17(27)20(23-19(25)28)10-8-13(2)9-11-20/h4-7,13H,3,8-12H2,1-2H3,(H,23,28)(H,21,22,26)
InChIKeyZRITYPDPRQLXEG-UHFFFAOYSA-N
XLogP2.50
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 134044696) is N-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCn1c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)nc2ccccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is ZRITYPDPRQLXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-3-24-15-7-5-4-6-14(15)21-18(24)22-16(26)12-25-17(27)20(23-19(25)28)10-8-13(2)9-11-20/h4-7,13H,3,8-12H2,1-2H3,(H,23,28)(H,21,22,26).
What are the key properties of N-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 134044696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).