2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile

C16H26N4 — CID 79572331

IUPAC2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCn1cnc(C)c1C
InChIInChI=1S/C16H26N4/c1-4-9-19-16(11-17)8-5-6-15(16)7-10-20-12-18-13(2)14(20)3/h12,15,19H,4-10H2,1-3H3
InChIKeyAXLOQJRASLIWMI-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.95
Rot. Bonds6

About 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile

2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 79572331) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID79572331
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCn1cnc(C)c1C
InChIInChI=1S/C16H26N4/c1-4-9-19-16(11-17)8-5-6-15(16)7-10-20-12-18-13(2)14(20)3/h12,15,19H,4-10H2,1-3H3
InChIKeyAXLOQJRASLIWMI-UHFFFAOYSA-N
XLogP2.95
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile 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-[2-(2-ethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79573740
2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79572695
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79564790
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577326
2-[2-(4-methylphenoxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79576518
2-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577480
2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79575959
methyl 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79571778
1-amino-2-[2-(4,5-dimethylimidazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79571495
1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile
CID 79577245
2-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578195
1-(propylamino)-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]cyclopentane-1-carbonitrile
CID 79576829

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile (CID 79572331) is 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCCC1CCn1cnc(C)c1C.
What is the InChIKey of 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is AXLOQJRASLIWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-4-9-19-16(11-17)8-5-6-15(16)7-10-20-12-18-13(2)14(20)3/h12,15,19H,4-10H2,1-3H3.
What are the key properties of 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 274.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79572331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).