3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane

C16H26N4 — CID 106553504

IUPAC3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCc1cn(C2CCCC2)c(N2CCC3CCC(C2)N3)n1
InChIInChI=1S/C16H26N4/c1-12-10-20(15-4-2-3-5-15)16(17-12)19-9-8-13-6-7-14(11-19)18-13/h10,13-15,18H,2-9,11H2,1H3
InChIKeyTWMAFNWQACNYQX-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.64
Rot. Bonds2

About 3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane

3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 106553504) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID106553504
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCc1cn(C2CCCC2)c(N2CCC3CCC(C2)N3)n1
InChIInChI=1S/C16H26N4/c1-12-10-20(15-4-2-3-5-15)16(17-12)19-9-8-13-6-7-14(11-19)18-13/h10,13-15,18H,2-9,11H2,1H3
InChIKeyTWMAFNWQACNYQX-UHFFFAOYSA-N
XLogP2.64
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane 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

1-(1-cyclopropyl-4-methylimidazol-2-yl)-3-methylpiperazine
CID 106552964
3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 106553506
3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 106553508
2-(1-cyclopropyl-4-methylimidazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 106553699
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline
CID 115314777
1-(1-cyclopentyl-4-ethylimidazol-2-yl)piperazine
CID 106552037
2-(1-cyclopropyl-4-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 106552005
3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314677
[1-(1-cyclohexyl-4-methylimidazol-2-yl)-6-methylpiperidin-3-yl]methanamine
CID 106552867
3-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115973583
5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole
CID 115314602
3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane
CID 115314620

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane (CID 106553504) is 3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane is Cc1cn(C2CCCC2)c(N2CCC3CCC(C2)N3)n1.
What is the InChIKey of 3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is TWMAFNWQACNYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-12-10-20(15-4-2-3-5-15)16(17-12)19-9-8-13-6-7-14(11-19)18-13/h10,13-15,18H,2-9,11H2,1H3.
What are the key properties of 3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane?
3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 274.41 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentyl-4-methylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 106553504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).