N-[2-(benzimidazol-1-yl)ethyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide

C19H22N4O3 — CID 71828318

IUPACN-[2-(benzimidazol-1-yl)ethyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)NCCn1cnc2ccccc21
InChIInChI=1S/C19H22N4O3/c24-16(12-23-17(25)11-19(18(23)26)7-3-4-8-19)20-9-10-22-13-21-14-5-1-2-6-15(14)22/h1-2,5-6,13H,3-4,7-12H2,(H,20,24)
InChIKeyCLUUMWOHFWCUAK-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.47
Rot. Bonds5

About N-[2-(benzimidazol-1-yl)ethyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide

N-[2-(benzimidazol-1-yl)ethyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide (PubChem CID 71828318) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide
PubChem CID71828318
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)NCCn1cnc2ccccc21
InChIInChI=1S/C19H22N4O3/c24-16(12-23-17(25)11-19(18(23)26)7-3-4-8-19)20-9-10-22-13-21-14-5-1-2-6-15(14)22/h1-2,5-6,13H,3-4,7-12H2,(H,20,24)
InChIKeyCLUUMWOHFWCUAK-UHFFFAOYSA-N
XLogP1.47
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide
CID 86206946
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
2-(benzimidazol-1-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362366
2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121120794
1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 61250242
N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47929228
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
N-[2-(benzimidazol-1-yl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 75490845
3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111445290
2-(benzimidazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62521113
N-[2-(benzimidazol-1-yl)ethylcarbamoyl]pentanamide
CID 3042276
N-[3-(benzimidazol-1-yl)propyl]-2-(4-iodopyrazol-1-yl)acetamide
CID 91956165

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide (CID 71828318) is N-[2-(benzimidazol-1-yl)ethyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide is O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCn1cnc2ccccc21.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide?
The InChIKey is CLUUMWOHFWCUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-16(12-23-17(25)11-19(18(23)26)7-3-4-8-19)20-9-10-22-13-21-14-5-1-2-6-15(14)22/h1-2,5-6,13H,3-4,7-12H2,(H,20,24).
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide?
N-[2-(benzimidazol-1-yl)ethyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide is sourced from PubChem (CID 71828318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).