(1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane

C19H26N4 — CID 72923876

IUPAC(1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
SMILESCn1ccnc1CN1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C19H26N4/c1-21-10-9-20-19(21)15-23-13-17-7-8-18(23)14-22(12-17)11-16-5-3-2-4-6-16/h2-6,9-10,17-18H,7-8,11-15H2,1H3/t17-,18+/m0/s1
InChIKeyFNOODQOWEQZNSU-ZWKOTPCHSA-N
MW310.44 g/mol
LogP2.52
Rot. Bonds4

About (1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane

(1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane (PubChem CID 72923876) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is (1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name(1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
PubChem CID72923876
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name(1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
SMILESCn1ccnc1CN1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2
InChIInChI=1S/C19H26N4/c1-21-10-9-20-19(21)15-23-13-17-7-8-18(23)14-22(12-17)11-16-5-3-2-4-6-16/h2-6,9-10,17-18H,7-8,11-15H2,1H3/t17-,18+/m0/s1
InChIKeyFNOODQOWEQZNSU-ZWKOTPCHSA-N
XLogP2.52
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane with MolForge

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Related Compounds

(1S,5R)-6-benzyl-3-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 70725089
3,5-dimethyl-4-[[(1S,5R)-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1,2-oxazole
CID 72875542
(1S,5R)-6-benzyl-3-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 70723250
(1S,5R)-3-benzyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72881218
(1S,5R)-3-benzyl-6-[(5-ethyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72892585
(1S,5R)-3-benzyl-6-[(6-methyl-2-pyridinyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72866424
(1R,5S)-6-benzyl-3-[(4-methylsulfonylphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133127610
6-benzyl-3-[(1,5-dimethylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 156603160
(1R,5S)-3-benzyl-6-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 74240576
2-[4-[[(1S,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]phenoxy]ethanol
CID 72926829
(1S,5R)-6-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-benzyl-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride
CID 154900726
2-[[(1S,5R)-3-benzyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]benzoic acid
CID 72858336

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane?
The IUPAC name of (1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane (CID 72923876) is (1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for (1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane?
The canonical SMILES for (1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane is Cn1ccnc1CN1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2.
What is the InChIKey of (1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane?
The InChIKey is FNOODQOWEQZNSU-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H26N4/c1-21-10-9-20-19(21)15-23-13-17-7-8-18(23)14-22(12-17)11-16-5-3-2-4-6-16/h2-6,9-10,17-18H,7-8,11-15H2,1H3/t17-,18+/m0/s1.
What are the key properties of (1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane?
(1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane has a molecular weight of 310.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-benzyl-6-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 72923876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).