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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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).