4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide

C21H27N5O3 — CID 18120796

IUPAC4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
SMILESCc1nc2ccccc2n1CCNC(=O)CCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C21H27N5O3/c1-15-23-16-7-2-3-8-17(16)25(15)14-12-22-18(27)9-6-13-26-19(28)21(24-20(26)29)10-4-5-11-21/h2-3,7-8H,4-6,9-14H2,1H3,(H,22,27)(H,24,29)
InChIKeyLMYDUHARQJVDCW-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.11
Rot. Bonds7

About 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide (PubChem CID 18120796) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
PubChem CID18120796
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
SMILESCc1nc2ccccc2n1CCNC(=O)CCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C21H27N5O3/c1-15-23-16-7-2-3-8-17(16)25(15)14-12-22-18(27)9-6-13-26-19(28)21(24-20(26)29)10-4-5-11-21/h2-3,7-8H,4-6,9-14H2,1H3,(H,22,27)(H,24,29)
InChIKeyLMYDUHARQJVDCW-UHFFFAOYSA-N
XLogP2.11
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
The IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide (CID 18120796) is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
The canonical SMILES for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide is Cc1nc2ccccc2n1CCNC(=O)CCCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
The InChIKey is LMYDUHARQJVDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-15-23-16-7-2-3-8-17(16)25(15)14-12-22-18(27)9-6-13-26-19(28)21(24-20(26)29)10-4-5-11-21/h2-3,7-8H,4-6,9-14H2,1H3,(H,22,27)(H,24,29).
What are the key properties of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide has a molecular weight of 397.48 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide is sourced from PubChem (CID 18120796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).