N-[1-(1H-imidazol-2-yl)ethyl]-2,2-dimethylcyclopentane-1-carboxamide

C13H21N3O — CID 107180579

IUPACN-[1-(1H-imidazol-2-yl)ethyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(NC(=O)C1CCCC1(C)C)c1ncc[nH]1
InChIInChI=1S/C13H21N3O/c1-9(11-14-7-8-15-11)16-12(17)10-5-4-6-13(10,2)3/h7-10H,4-6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyJBVMRTAAVCVKCC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.41
Rot. Bonds3

About N-[1-(1H-imidazol-2-yl)ethyl]-2,2-dimethylcyclopentane-1-carboxamide

N-[1-(1H-imidazol-2-yl)ethyl]-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107180579) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)ethyl]-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)ethyl]-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107180579
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[1-(1H-imidazol-2-yl)ethyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(NC(=O)C1CCCC1(C)C)c1ncc[nH]1
InChIInChI=1S/C13H21N3O/c1-9(11-14-7-8-15-11)16-12(17)10-5-4-6-13(10,2)3/h7-10H,4-6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyJBVMRTAAVCVKCC-UHFFFAOYSA-N
XLogP2.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[1-(1H-imidazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 104901495
(2R)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide
CID 104914789
(2S)-N-[1-(1H-imidazol-2-yl)ethyl]piperidine-2-carboxamide
CID 104914790
N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-1-(trifluoromethyl)cyclohexane-1-carboxamide
CID 154764249
(2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
CID 107175295
(1S,3aS,3bS,5aR,9aS,9bS,11aS)-8-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 68946230
2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 107178837
2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide
CID 104918442
4-ethyl-2-[1-(1H-imidazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114512136
3-[1-(1H-imidazol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114899046
N-[(1S)-1-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 167887556
N-[1-(1H-imidazol-2-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114628101

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-2,2-dimethylcyclopentane-1-carboxamide (CID 107180579) is N-[1-(1H-imidazol-2-yl)ethyl]-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)ethyl]-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)ethyl]-2,2-dimethylcyclopentane-1-carboxamide is CC(NC(=O)C1CCCC1(C)C)c1ncc[nH]1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)ethyl]-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is JBVMRTAAVCVKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(11-14-7-8-15-11)16-12(17)10-5-4-6-13(10,2)3/h7-10H,4-6H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of N-[1-(1H-imidazol-2-yl)ethyl]-2,2-dimethylcyclopentane-1-carboxamide?
N-[1-(1H-imidazol-2-yl)ethyl]-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)ethyl]-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107180579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).