1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile

C11H9N3S — CID 116881838

IUPAC1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ncc(-c3cccs3)[nH]2)CC1
InChIInChI=1S/C11H9N3S/c12-7-11(3-4-11)10-13-6-8(14-10)9-2-1-5-15-9/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeyMTSWRZAAPYAKCY-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.69
Rot. Bonds2

About 1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile

1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile (PubChem CID 116881838) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile
PubChem CID116881838
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ncc(-c3cccs3)[nH]2)CC1
InChIInChI=1S/C11H9N3S/c12-7-11(3-4-11)10-13-6-8(14-10)9-2-1-5-15-9/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeyMTSWRZAAPYAKCY-UHFFFAOYSA-N
XLogP2.69
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile (CID 116881838) is 1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile is N#CC1(c2ncc(-c3cccs3)[nH]2)CC1.
What is the InChIKey of 1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile?
The InChIKey is MTSWRZAAPYAKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c12-7-11(3-4-11)10-13-6-8(14-10)9-2-1-5-15-9/h1-2,5-6H,3-4H2,(H,13,14).
What are the key properties of 1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile?
1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile has a molecular weight of 215.28 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116881838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).