1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one

C20H26N4O2 — CID 162628389

IUPAC1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)c2ccc3nc(C)[nH]c3c2)C1=O
InChIInChI=1S/C20H26N4O2/c1-3-10-23-11-4-8-20(19(23)26)9-5-12-24(20)18(25)15-6-7-16-17(13-15)22-14(2)21-16/h6-7,13H,3-5,8-12H2,1-2H3,(H,21,22)
InChIKeyIODZXAJYKJWERN-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.88
Rot. Bonds3

About 1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one

1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162628389) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162628389
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)c2ccc3nc(C)[nH]c3c2)C1=O
InChIInChI=1S/C20H26N4O2/c1-3-10-23-11-4-8-20(19(23)26)9-5-12-24(20)18(25)15-6-7-16-17(13-15)22-14(2)21-16/h6-7,13H,3-5,8-12H2,1-2H3,(H,21,22)
InChIKeyIODZXAJYKJWERN-UHFFFAOYSA-N
XLogP2.88
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one (CID 162628389) is 1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one is CCCN1CCCC2(CCCN2C(=O)c2ccc3nc(C)[nH]c3c2)C1=O.
What is the InChIKey of 1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is IODZXAJYKJWERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-10-23-11-4-8-20(19(23)26)9-5-12-24(20)18(25)15-6-7-16-17(13-15)22-14(2)21-16/h6-7,13H,3-5,8-12H2,1-2H3,(H,21,22).
What are the key properties of 1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 354.45 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162628389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).