N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide

C15H18N4O — CID 10308194

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H18N4O/c20-15(11-1-2-13-14(6-11)17-9-16-13)18-12-5-10-3-4-19(7-10)8-12/h1-2,6,9-10,12H,3-5,7-8H2,(H,16,17)(H,18,20)
InChIKeyFXUWYRNVIZXTNY-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.39
Rot. Bonds2

About N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 10308194) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
PubChem CID10308194
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H18N4O/c20-15(11-1-2-13-14(6-11)17-9-16-13)18-12-5-10-3-4-19(7-10)8-12/h1-2,6,9-10,12H,3-5,7-8H2,(H,16,17)(H,18,20)
InChIKeyFXUWYRNVIZXTNY-UHFFFAOYSA-N
XLogP1.39
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 27646859
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CID 114549479
N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 64722974
N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 162475306
N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 106995338
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554461
N-(1,3-dimethylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 18723319
N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 110821957
N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide
CID 91394335
N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554556

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide (CID 10308194) is N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide is O=C(NC1CC2CCN(C2)C1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is FXUWYRNVIZXTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(11-1-2-13-14(6-11)17-9-16-13)18-12-5-10-3-4-19(7-10)8-12/h1-2,6,9-10,12H,3-5,7-8H2,(H,16,17)(H,18,20).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10308194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).