2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide

C14H16N4O — CID 25183353

IUPAC2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c([C@@]34CC[C@@H](CN3)C4)nc12
InChIInChI=1S/C14H16N4O/c15-12(19)9-2-1-3-10-11(9)18-13(17-10)14-5-4-8(6-14)7-16-14/h1-3,8,16H,4-7H2,(H2,15,19)(H,17,18)/t8-,14+/m1/s1
InChIKeyFCNJJXRHYDMLFC-CLAHSXSESA-N
MW256.31 g/mol
LogP1.26
Rot. Bonds2

About 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide

2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 25183353) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide
PubChem CID25183353
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c([C@@]34CC[C@@H](CN3)C4)nc12
InChIInChI=1S/C14H16N4O/c15-12(19)9-2-1-3-10-11(9)18-13(17-10)14-5-4-8(6-14)7-16-14/h1-3,8,16H,4-7H2,(H2,15,19)(H,17,18)/t8-,14+/m1/s1
InChIKeyFCNJJXRHYDMLFC-CLAHSXSESA-N
XLogP1.26
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide (CID 25183353) is 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c([C@@]34CC[C@@H](CN3)C4)nc12.
What is the InChIKey of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is FCNJJXRHYDMLFC-CLAHSXSESA-N. The full InChI is InChI=1S/C14H16N4O/c15-12(19)9-2-1-3-10-11(9)18-13(17-10)14-5-4-8(6-14)7-16-14/h1-3,8,16H,4-7H2,(H2,15,19)(H,17,18)/t8-,14+/m1/s1.
What are the key properties of 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide?
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-1-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25183353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).