1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide

C12H16N4O — CID 60717326

IUPAC1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCCn2ccnc2)CCCC1
InChIInChI=1S/C12H16N4O/c13-9-12(3-1-2-4-12)11(17)15-6-8-16-7-5-14-10-16/h5,7,10H,1-4,6,8H2,(H,15,17)
InChIKeyYLVBNPWQWNLDBJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.08
Rot. Bonds4

About 1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide

1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide (PubChem CID 60717326) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide
PubChem CID60717326
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCCn2ccnc2)CCCC1
InChIInChI=1S/C12H16N4O/c13-9-12(3-1-2-4-12)11(17)15-6-8-16-7-5-14-10-16/h5,7,10H,1-4,6,8H2,(H,15,17)
InChIKeyYLVBNPWQWNLDBJ-UHFFFAOYSA-N
XLogP1.08
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
CID 80588119
1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclobutane-1-carboxamide
CID 80589798
1-carbamothioyl-N-(2-imidazol-1-ylethyl)cyclopropane-1-carboxamide
CID 80589712
1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 78994411
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide
CID 63135088
N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710927
2-imidazol-1-ylethylurea
CID 61061185
1-cyano-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 82873497
1-(4-imidazol-1-ylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62097000
N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide
CID 167796631
1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide
CID 80682385

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide (CID 60717326) is 1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide is N#CC1(C(=O)NCCn2ccnc2)CCCC1.
What is the InChIKey of 1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide?
The InChIKey is YLVBNPWQWNLDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-9-12(3-1-2-4-12)11(17)15-6-8-16-7-5-14-10-16/h5,7,10H,1-4,6,8H2,(H,15,17).
What are the key properties of 1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide?
1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-imidazol-1-ylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 60717326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).