2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone

C16H23N3O — CID 126835443

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CC2CCC1C2)N1CCC(c2ncc[nH]2)C1
InChIInChI=1S/C16H23N3O/c20-15(9-14-8-11-1-2-12(14)7-11)19-6-3-13(10-19)16-17-4-5-18-16/h4-5,11-14H,1-3,6-10H2,(H,17,18)
InChIKeyRAHIMXDJTVRAHK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.55
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 126835443) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID126835443
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CC1CC2CCC1C2)N1CCC(c2ncc[nH]2)C1
InChIInChI=1S/C16H23N3O/c20-15(9-14-8-11-1-2-12(14)7-11)19-6-3-13(10-19)16-17-4-5-18-16/h4-5,11-14H,1-3,6-10H2,(H,17,18)
InChIKeyRAHIMXDJTVRAHK-UHFFFAOYSA-N
XLogP2.55
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 2932382
rac-(1R,2S,3r,4R,5S)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.0~2,4~]octane-3-carboxamide
CID 119067424
rac-(1R,2S,3r,4R,5S)-N-[2-(1H-imidazol-2-yl)ethyl]tricyclo[3.2.1.0~2,4~]octane-3-carboxamide
CID 121513116
[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone
CID 126832130
N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 112691041
N-[2-(1H-imidazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115620232
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115621028
N-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115668660
N-[3-(1H-imidazol-2-yl)propyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 116339197
N-[3-(1H-imidazol-2-yl)propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 116339212
N-[2-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 136529777
N-[3-(1H-imidazol-1-yl)propyl]-3,3-dimethyl-2-methylenebicyclo[2.2.1]heptane-1-carboxamide
CID 2978991

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone (CID 126835443) is 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone is O=C(CC1CC2CCC1C2)N1CCC(c2ncc[nH]2)C1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is RAHIMXDJTVRAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-15(9-14-8-11-1-2-12(14)7-11)19-6-3-13(10-19)16-17-4-5-18-16/h4-5,11-14H,1-3,6-10H2,(H,17,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 273.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 126835443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).