2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide

C15H18N4O — CID 25229938

IUPAC2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C34CCC(CC3)NC4)nc12
InChIInChI=1S/C15H18N4O/c16-13(20)10-2-1-3-11-12(10)19-14(18-11)15-6-4-9(5-7-15)17-8-15/h1-3,9,17H,4-8H2,(H2,16,20)(H,18,19)
InChIKeyLSXZPSSWEITSCA-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.45
Rot. Bonds2

About 2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide

2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 25229938) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide
PubChem CID25229938
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C34CCC(CC3)NC4)nc12
InChIInChI=1S/C15H18N4O/c16-13(20)10-2-1-3-11-12(10)19-14(18-11)15-6-4-9(5-7-15)17-8-15/h1-3,9,17H,4-8H2,(H2,16,20)(H,18,19)
InChIKeyLSXZPSSWEITSCA-UHFFFAOYSA-N
XLogP1.45
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide (CID 25229938) is 2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(C34CCC(CC3)NC4)nc12.
What is the InChIKey of 2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is LSXZPSSWEITSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-13(20)10-2-1-3-11-12(10)19-14(18-11)15-6-4-9(5-7-15)17-8-15/h1-3,9,17H,4-8H2,(H2,16,20)(H,18,19).
What are the key properties of 2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide?
2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.2]octan-4-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25229938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).