[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(5-chloro-1-methylimidazol-2-yl)methanol

C13H20ClN3O — CID 114239543

IUPAC[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(5-chloro-1-methylimidazol-2-yl)methanol
SMILESCn1c(Cl)cnc1C(O)C1(CN)CC2CCC1C2
InChIInChI=1S/C13H20ClN3O/c1-17-10(14)6-16-12(17)11(18)13(7-15)5-8-2-3-9(13)4-8/h6,8-9,11,18H,2-5,7,15H2,1H3
InChIKeyXGZHAWZPBZMSDR-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.87
Rot. Bonds3

About [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(5-chloro-1-methylimidazol-2-yl)methanol

[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(5-chloro-1-methylimidazol-2-yl)methanol (PubChem CID 114239543) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(5-chloro-1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(5-chloro-1-methylimidazol-2-yl)methanol
PubChem CID114239543
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(5-chloro-1-methylimidazol-2-yl)methanol
SMILESCn1c(Cl)cnc1C(O)C1(CN)CC2CCC1C2
InChIInChI=1S/C13H20ClN3O/c1-17-10(14)6-16-12(17)11(18)13(7-15)5-8-2-3-9(13)4-8/h6,8-9,11,18H,2-5,7,15H2,1H3
InChIKeyXGZHAWZPBZMSDR-UHFFFAOYSA-N
XLogP1.87
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(5-chloro-1-methylimidazol-2-yl)methanol?
The IUPAC name of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(5-chloro-1-methylimidazol-2-yl)methanol (CID 114239543) is [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(5-chloro-1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(5-chloro-1-methylimidazol-2-yl)methanol?
The canonical SMILES for [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(5-chloro-1-methylimidazol-2-yl)methanol is Cn1c(Cl)cnc1C(O)C1(CN)CC2CCC1C2.
What is the InChIKey of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(5-chloro-1-methylimidazol-2-yl)methanol?
The InChIKey is XGZHAWZPBZMSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-17-10(14)6-16-12(17)11(18)13(7-15)5-8-2-3-9(13)4-8/h6,8-9,11,18H,2-5,7,15H2,1H3.
What are the key properties of [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(5-chloro-1-methylimidazol-2-yl)methanol?
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(5-chloro-1-methylimidazol-2-yl)methanol has a molecular weight of 269.78 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]-(5-chloro-1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 114239543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).