2-(4-ethyl-4-azaspiro[2.4]heptan-5-yl)-1H-benzimidazole-4-carboxamide

C16H20N4O — CID 25229883

IUPAC2-(4-ethyl-4-azaspiro[2.4]heptan-5-yl)-1H-benzimidazole-4-carboxamide
SMILESCCN1C(c2nc3c(C(N)=O)cccc3[nH]2)CCC12CC2
InChIInChI=1S/C16H20N4O/c1-2-20-12(6-7-16(20)8-9-16)15-18-11-5-3-4-10(14(17)21)13(11)19-15/h3-5,12H,2,6-9H2,1H3,(H2,17,21)(H,18,19)
InChIKeyDGIXYEVBLMDQDD-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.35
Rot. Bonds3

About 2-(4-ethyl-4-azaspiro[2.4]heptan-5-yl)-1H-benzimidazole-4-carboxamide

2-(4-ethyl-4-azaspiro[2.4]heptan-5-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 25229883) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(4-ethyl-4-azaspiro[2.4]heptan-5-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethyl-4-azaspiro[2.4]heptan-5-yl)-1H-benzimidazole-4-carboxamide
PubChem CID25229883
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(4-ethyl-4-azaspiro[2.4]heptan-5-yl)-1H-benzimidazole-4-carboxamide
SMILESCCN1C(c2nc3c(C(N)=O)cccc3[nH]2)CCC12CC2
InChIInChI=1S/C16H20N4O/c1-2-20-12(6-7-16(20)8-9-16)15-18-11-5-3-4-10(14(17)21)13(11)19-15/h3-5,12H,2,6-9H2,1H3,(H2,17,21)(H,18,19)
InChIKeyDGIXYEVBLMDQDD-UHFFFAOYSA-N
XLogP2.35
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
CID 25190747
2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide
CID 22718147
2-[(3S)-1-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137868
2-(4-methoxycyclohexyl)-1H-benzimidazole-4-carboxamide
CID 10221158
2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 18428049
2-[(1S,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide
CID 25229722
2-(2-ethyl-2-azabicyclo[2.2.1]heptan-1-yl)-1H-benzimidazole-4-carboxamide
CID 25229725
2-(1-acetylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 18428045
2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137901
2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 18428036
2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
CID 11960920
2-(6-azaspiro[3.4]octan-7-yl)-1H-benzimidazole-4-carboxamide
CID 25229961

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-azaspiro[2.4]heptan-5-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4-ethyl-4-azaspiro[2.4]heptan-5-yl)-1H-benzimidazole-4-carboxamide (CID 25229883) is 2-(4-ethyl-4-azaspiro[2.4]heptan-5-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethyl-4-azaspiro[2.4]heptan-5-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-ethyl-4-azaspiro[2.4]heptan-5-yl)-1H-benzimidazole-4-carboxamide is CCN1C(c2nc3c(C(N)=O)cccc3[nH]2)CCC12CC2.
What is the InChIKey of 2-(4-ethyl-4-azaspiro[2.4]heptan-5-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is DGIXYEVBLMDQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-20-12(6-7-16(20)8-9-16)15-18-11-5-3-4-10(14(17)21)13(11)19-15/h3-5,12H,2,6-9H2,1H3,(H2,17,21)(H,18,19).
What are the key properties of 2-(4-ethyl-4-azaspiro[2.4]heptan-5-yl)-1H-benzimidazole-4-carboxamide?
2-(4-ethyl-4-azaspiro[2.4]heptan-5-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-azaspiro[2.4]heptan-5-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25229883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).