5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile

C17H22N4 — CID 106804117

IUPAC5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile
SMILESCCC(C#N)(CCCn1cnc2ccccc21)NC1CC1
InChIInChI=1S/C17H22N4/c1-2-17(12-18,20-14-8-9-14)10-5-11-21-13-19-15-6-3-4-7-16(15)21/h3-4,6-7,13-14,20H,2,5,8-11H2,1H3
InChIKeyOOQWNMAIWJVYCG-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.24
Rot. Bonds7

About 5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile

5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile (PubChem CID 106804117) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile
PubChem CID106804117
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile
SMILESCCC(C#N)(CCCn1cnc2ccccc21)NC1CC1
InChIInChI=1S/C17H22N4/c1-2-17(12-18,20-14-8-9-14)10-5-11-21-13-19-15-6-3-4-7-16(15)21/h3-4,6-7,13-14,20H,2,5,8-11H2,1H3
InChIKeyOOQWNMAIWJVYCG-UHFFFAOYSA-N
XLogP3.24
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile?
The IUPAC name of 5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile (CID 106804117) is 5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile.
What is the SMILES notation for 5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile?
The canonical SMILES for 5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile is CCC(C#N)(CCCn1cnc2ccccc21)NC1CC1.
What is the InChIKey of 5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile?
The InChIKey is OOQWNMAIWJVYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-17(12-18,20-14-8-9-14)10-5-11-21-13-19-15-6-3-4-7-16(15)21/h3-4,6-7,13-14,20H,2,5,8-11H2,1H3.
What are the key properties of 5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile?
5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile has a molecular weight of 282.39 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile is sourced from PubChem (CID 106804117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).