(1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane

C12H20N4 — CID 133117917

IUPAC(1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
SMILESCn1ccnc1CN1[C@@H]2CCNC[C@H]1CC2
InChIInChI=1S/C12H20N4/c1-15-7-6-14-12(15)9-16-10-2-3-11(16)8-13-5-4-10/h6-7,10-11,13H,2-5,8-9H2,1H3/t10-,11+/m0/s1
InChIKeyFORLARBEYCCKEH-WDEREUQCSA-N
MW220.32 g/mol
LogP0.75
Rot. Bonds2

About (1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane

(1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 133117917) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name(1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
PubChem CID133117917
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
SMILESCn1ccnc1CN1[C@@H]2CCNC[C@H]1CC2
InChIInChI=1S/C12H20N4/c1-15-7-6-14-12(15)9-16-10-2-3-11(16)8-13-5-4-10/h6-7,10-11,13H,2-5,8-9H2,1H3/t10-,11+/m0/s1
InChIKeyFORLARBEYCCKEH-WDEREUQCSA-N
XLogP0.75
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-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-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole
CID 114796078
N-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 63293406
1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole
CID 114720604
(1R,6S)-9-benzyl-3,9-diazabicyclo[4.2.1]nonane
CID 51893403
6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane
CID 63293537
(1R,6R)-9-[(4-propoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 98295740
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968218
N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 63007268
2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone
CID 116548056
1-(1-methylimidazol-2-yl)-2-piperidin-3-ylpropan-2-ol
CID 79743754
1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole
CID 114719151
3-[2-fluoro-1-(1-methylimidazol-2-yl)propan-2-yl]piperidine
CID 112564988

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of (1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane (CID 133117917) is (1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for (1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for (1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane is Cn1ccnc1CN1[C@@H]2CCNC[C@H]1CC2.
What is the InChIKey of (1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is FORLARBEYCCKEH-WDEREUQCSA-N. The full InChI is InChI=1S/C12H20N4/c1-15-7-6-14-12(15)9-16-10-2-3-11(16)8-13-5-4-10/h6-7,10-11,13H,2-5,8-9H2,1H3/t10-,11+/m0/s1.
What are the key properties of (1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
(1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 220.32 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 133117917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).