2-(3-pyridin-4-ylbenzimidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

C21H21N5O2 — CID 175840092

IUPAC2-(3-pyridin-4-ylbenzimidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccc2ncn(-c3ccncc3)c2c1)N1CCC2(CCNCC2)C1=O
InChIInChI=1S/C21H21N5O2/c27-19(25-12-7-21(20(25)28)5-10-23-11-6-21)15-1-2-17-18(13-15)26(14-24-17)16-3-8-22-9-4-16/h1-4,8-9,13-14,23H,5-7,10-12H2
InChIKeyUNYWYLAWGQGZGC-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.16
Rot. Bonds2

About 2-(3-pyridin-4-ylbenzimidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

2-(3-pyridin-4-ylbenzimidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 175840092) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(3-pyridin-4-ylbenzimidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(3-pyridin-4-ylbenzimidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID175840092
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-(3-pyridin-4-ylbenzimidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccc2ncn(-c3ccncc3)c2c1)N1CCC2(CCNCC2)C1=O
InChIInChI=1S/C21H21N5O2/c27-19(25-12-7-21(20(25)28)5-10-23-11-6-21)15-1-2-17-18(13-15)26(14-24-17)16-3-8-22-9-4-16/h1-4,8-9,13-14,23H,5-7,10-12H2
InChIKeyUNYWYLAWGQGZGC-UHFFFAOYSA-N
XLogP2.16
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid
CID 66550615
3-(4-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790830
1,4-diazepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
CID 110469134
4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide
CID 137490400
azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone
CID 137490311
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
3-(3-chlorophenyl)benzimidazole-5-carboxylic acid
CID 82790283
3-(2-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790606
azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
CID 110469131
[3-(4-chlorophenyl)benzimidazol-5-yl]-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone
CID 128721783
4-(benzimidazol-1-yl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 55950490
3-(3-bromo-5-methylphenyl)benzimidazole-5-carboxylic acid
CID 107576704

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-4-ylbenzimidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(3-pyridin-4-ylbenzimidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (CID 175840092) is 2-(3-pyridin-4-ylbenzimidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(3-pyridin-4-ylbenzimidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(3-pyridin-4-ylbenzimidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is O=C(c1ccc2ncn(-c3ccncc3)c2c1)N1CCC2(CCNCC2)C1=O.
What is the InChIKey of 2-(3-pyridin-4-ylbenzimidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is UNYWYLAWGQGZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-19(25-12-7-21(20(25)28)5-10-23-11-6-21)15-1-2-17-18(13-15)26(14-24-17)16-3-8-22-9-4-16/h1-4,8-9,13-14,23H,5-7,10-12H2.
What are the key properties of 2-(3-pyridin-4-ylbenzimidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
2-(3-pyridin-4-ylbenzimidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 375.43 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-4-ylbenzimidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 175840092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).