N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazole-1-carboxamide

C13H19N3O — CID 98054786

IUPACN-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazole-1-carboxamide
SMILESC[C@H](NC(=O)n1ccnc1)[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C13H19N3O/c1-9(12-7-10-2-3-11(12)6-10)15-13(17)16-5-4-14-8-16/h4-5,8-12H,2-3,6-7H2,1H3,(H,15,17)/t9-,10+,11+,12+/m0/s1
InChIKeyZBKGCAMXQCQWIN-IRCOFANPSA-N
MW233.31 g/mol
LogP2.27
Rot. Bonds2

About N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazole-1-carboxamide

N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazole-1-carboxamide (PubChem CID 98054786) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazole-1-carboxamide
PubChem CID98054786
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazole-1-carboxamide
SMILESC[C@H](NC(=O)n1ccnc1)[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C13H19N3O/c1-9(12-7-10-2-3-11(12)6-10)15-13(17)16-5-4-14-8-16/h4-5,8-12H,2-3,6-7H2,1H3,(H,15,17)/t9-,10+,11+,12+/m0/s1
InChIKeyZBKGCAMXQCQWIN-IRCOFANPSA-N
XLogP2.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazole-1-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-4-carboxamide
CID 98104808
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide
CID 115583046
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazo[1,5-a]pyridine-7-carboxamide
CID 84578331
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279628
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-3-carboxamide
CID 124749087
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54924868
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 98334021
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyridin-4-ylpropanamide
CID 124828623
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-fluoropyridine-4-carboxamide
CID 113240764
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 124823285

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazole-1-carboxamide?
The IUPAC name of N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazole-1-carboxamide (CID 98054786) is N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazole-1-carboxamide?
The canonical SMILES for N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazole-1-carboxamide is C[C@H](NC(=O)n1ccnc1)[C@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazole-1-carboxamide?
The InChIKey is ZBKGCAMXQCQWIN-IRCOFANPSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(12-7-10-2-3-11(12)6-10)15-13(17)16-5-4-14-8-16/h4-5,8-12H,2-3,6-7H2,1H3,(H,15,17)/t9-,10+,11+,12+/m0/s1.
What are the key properties of N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazole-1-carboxamide?
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazole-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 98054786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).