3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile

C14H16N4 — CID 79638590

IUPAC3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(n2cnc3ccccc32)C1
InChIInChI=1S/C14H16N4/c1-16-14(9-15)7-6-11(8-14)18-10-17-12-4-2-3-5-13(12)18/h2-5,10-11,16H,6-8H2,1H3
InChIKeyCKCFVIWCIHOPJL-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.24
Rot. Bonds2

About 3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile

3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79638590) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79638590
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(n2cnc3ccccc32)C1
InChIInChI=1S/C14H16N4/c1-16-14(9-15)7-6-11(8-14)18-10-17-12-4-2-3-5-13(12)18/h2-5,10-11,16H,6-8H2,1H3
InChIKeyCKCFVIWCIHOPJL-UHFFFAOYSA-N
XLogP2.24
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile (CID 79638590) is 3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile is CNC1(C#N)CCC(n2cnc3ccccc32)C1.
What is the InChIKey of 3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is CKCFVIWCIHOPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-16-14(9-15)7-6-11(8-14)18-10-17-12-4-2-3-5-13(12)18/h2-5,10-11,16H,6-8H2,1H3.
What are the key properties of 3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile?
3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).