2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile

C17H24N4 — CID 106804293

IUPAC2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile
SMILESCCCc1nc2ccccc2n1CCCC(N)(C#N)CC
InChIInChI=1S/C17H24N4/c1-3-8-16-20-14-9-5-6-10-15(14)21(16)12-7-11-17(19,4-2)13-18/h5-6,9-10H,3-4,7-8,11-12,19H2,1-2H3
InChIKeyOHIUNZYLWCDEOA-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.40
Rot. Bonds7

About 2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile

2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile (PubChem CID 106804293) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile
PubChem CID106804293
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile
SMILESCCCc1nc2ccccc2n1CCCC(N)(C#N)CC
InChIInChI=1S/C17H24N4/c1-3-8-16-20-14-9-5-6-10-15(14)21(16)12-7-11-17(19,4-2)13-18/h5-6,9-10H,3-4,7-8,11-12,19H2,1-2H3
InChIKeyOHIUNZYLWCDEOA-UHFFFAOYSA-N
XLogP3.40
TPSA67.63 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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanamide
CID 115970917
2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid
CID 115970980
3-(2-propylbenzimidazol-1-yl)propanenitrile
CID 15259068
1-pent-4-ynyl-2-propylbenzimidazole
CID 113374435
1-(3-methylbut-3-enyl)-2-propylbenzimidazole
CID 114476798
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
5-[2-(cyanomethyl)benzimidazol-1-yl]-2,2-dimethylpentanenitrile
CID 65254930
3-(2-nonylbenzimidazol-1-yl)propanenitrile
CID 3414189
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine
CID 115970737

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile (CID 106804293) is 2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile is CCCc1nc2ccccc2n1CCCC(N)(C#N)CC.
What is the InChIKey of 2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile?
The InChIKey is OHIUNZYLWCDEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-8-16-20-14-9-5-6-10-15(14)21(16)12-7-11-17(19,4-2)13-18/h5-6,9-10H,3-4,7-8,11-12,19H2,1-2H3.
What are the key properties of 2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile?
2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile has a molecular weight of 284.41 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile is sourced from PubChem (CID 106804293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).