N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3H-benzimidazole-5-carboxamide

C16H17N5O3 — CID 25390626

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H17N5O3/c22-13(10-4-5-11-12(8-10)18-9-17-11)20-21-14(23)16(19-15(21)24)6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2,(H,17,18)(H,19,24)(H,20,22)
InChIKeyKISLNALLRAPJOW-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.46
Rot. Bonds2

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3H-benzimidazole-5-carboxamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 25390626) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3H-benzimidazole-5-carboxamide
PubChem CID25390626
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H17N5O3/c22-13(10-4-5-11-12(8-10)18-9-17-11)20-21-14(23)16(19-15(21)24)6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2,(H,17,18)(H,19,24)(H,20,22)
InChIKeyKISLNALLRAPJOW-UHFFFAOYSA-N
XLogP1.46
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-piperidin-1-yl-3H-benzimidazole-5-carboxamide
CID 69436503
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N-cycloheptyl-3H-benzimidazole-5-carboxamide
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N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)isoquinoline-1-carboxamide
CID 60611899
1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone
CID 82052590
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
CID 110444802
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 43403017
3H-benzimidazol-5-yl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814747
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 75520966
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CID 106297402

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3H-benzimidazole-5-carboxamide (CID 25390626) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3H-benzimidazole-5-carboxamide is O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is KISLNALLRAPJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c22-13(10-4-5-11-12(8-10)18-9-17-11)20-21-14(23)16(19-15(21)24)6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2,(H,17,18)(H,19,24)(H,20,22).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3H-benzimidazole-5-carboxamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 25390626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).