[1-(aminomethyl)cyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol

C12H20ClN3O — CID 114239545

IUPAC[1-(aminomethyl)cyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol
SMILESCn1c(Cl)cnc1C(O)C1(CN)CCCCC1
InChIInChI=1S/C12H20ClN3O/c1-16-9(13)7-15-11(16)10(17)12(8-14)5-3-2-4-6-12/h7,10,17H,2-6,8,14H2,1H3
InChIKeyBWWLXAGENBOWGE-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.02
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol

[1-(aminomethyl)cyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol (PubChem CID 114239545) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol
PubChem CID114239545
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name[1-(aminomethyl)cyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol
SMILESCn1c(Cl)cnc1C(O)C1(CN)CCCCC1
InChIInChI=1S/C12H20ClN3O/c1-16-9(13)7-15-11(16)10(17)12(8-14)5-3-2-4-6-12/h7,10,17H,2-6,8,14H2,1H3
InChIKeyBWWLXAGENBOWGE-UHFFFAOYSA-N
XLogP2.02
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol (CID 114239545) is [1-(aminomethyl)cyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol is Cn1c(Cl)cnc1C(O)C1(CN)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol?
The InChIKey is BWWLXAGENBOWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-16-9(13)7-15-11(16)10(17)12(8-14)5-3-2-4-6-12/h7,10,17H,2-6,8,14H2,1H3.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol?
[1-(aminomethyl)cyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol has a molecular weight of 257.76 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(5-chloro-1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 114239545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).