6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile

C17H24N4 — CID 63107297

IUPAC6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile
SMILESCCc1nc2ccccc2n1CCCCC(C)(C#N)NC
InChIInChI=1S/C17H24N4/c1-4-16-20-14-9-5-6-10-15(14)21(16)12-8-7-11-17(2,13-18)19-3/h5-6,9-10,19H,4,7-8,11-12H2,1-3H3
InChIKeyPDEPISQLSVVAFX-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.27
Rot. Bonds7

About 6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile

6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile (PubChem CID 63107297) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile.

Molecular Properties

Compound Name6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile
PubChem CID63107297
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile
SMILESCCc1nc2ccccc2n1CCCCC(C)(C#N)NC
InChIInChI=1S/C17H24N4/c1-4-16-20-14-9-5-6-10-15(14)21(16)12-8-7-11-17(2,13-18)19-3/h5-6,9-10,19H,4,7-8,11-12H2,1-3H3
InChIKeyPDEPISQLSVVAFX-UHFFFAOYSA-N
XLogP3.27
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol
CID 64808784
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline
CID 63105255
5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile
CID 65254930
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
6-(2-ethylbenzimidazol-1-yl)hexan-2-amine
CID 63107097
N-benzyl-4-(2-ethylbenzimidazol-1-yl)butan-1-amine
CID 134815891
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol
CID 64809415
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile
CID 106804293

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile?
The IUPAC name of 6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile (CID 63107297) is 6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile.
What is the SMILES notation for 6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile?
The canonical SMILES for 6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile is CCc1nc2ccccc2n1CCCCC(C)(C#N)NC.
What is the InChIKey of 6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile?
The InChIKey is PDEPISQLSVVAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-16-20-14-9-5-6-10-15(14)21(16)12-8-7-11-17(2,13-18)19-3/h5-6,9-10,19H,4,7-8,11-12H2,1-3H3.
What are the key properties of 6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile?
6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile has a molecular weight of 284.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile is sourced from PubChem (CID 63107297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).