[1-(aminomethyl)-3-methylcyclopentyl]-(5-chloro-1-methylimidazol-2-yl)methanol

C12H20ClN3O — CID 114239541

IUPAC[1-(aminomethyl)-3-methylcyclopentyl]-(5-chloro-1-methylimidazol-2-yl)methanol
SMILESCC1CCC(CN)(C(O)c2ncc(Cl)n2C)C1
InChIInChI=1S/C12H20ClN3O/c1-8-3-4-12(5-8,7-14)10(17)11-15-6-9(13)16(11)2/h6,8,10,17H,3-5,7,14H2,1-2H3
InChIKeyOGKILISERBYGDA-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.87
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclopentyl]-(5-chloro-1-methylimidazol-2-yl)methanol

[1-(aminomethyl)-3-methylcyclopentyl]-(5-chloro-1-methylimidazol-2-yl)methanol (PubChem CID 114239541) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclopentyl]-(5-chloro-1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclopentyl]-(5-chloro-1-methylimidazol-2-yl)methanol
PubChem CID114239541
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name[1-(aminomethyl)-3-methylcyclopentyl]-(5-chloro-1-methylimidazol-2-yl)methanol
SMILESCC1CCC(CN)(C(O)c2ncc(Cl)n2C)C1
InChIInChI=1S/C12H20ClN3O/c1-8-3-4-12(5-8,7-14)10(17)11-15-6-9(13)16(11)2/h6,8,10,17H,3-5,7,14H2,1-2H3
InChIKeyOGKILISERBYGDA-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-(5-chloro-1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-(5-chloro-1-methylimidazol-2-yl)methanol (CID 114239541) is [1-(aminomethyl)-3-methylcyclopentyl]-(5-chloro-1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclopentyl]-(5-chloro-1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclopentyl]-(5-chloro-1-methylimidazol-2-yl)methanol is CC1CCC(CN)(C(O)c2ncc(Cl)n2C)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclopentyl]-(5-chloro-1-methylimidazol-2-yl)methanol?
The InChIKey is OGKILISERBYGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-8-3-4-12(5-8,7-14)10(17)11-15-6-9(13)16(11)2/h6,8,10,17H,3-5,7,14H2,1-2H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclopentyl]-(5-chloro-1-methylimidazol-2-yl)methanol?
[1-(aminomethyl)-3-methylcyclopentyl]-(5-chloro-1-methylimidazol-2-yl)methanol has a molecular weight of 257.76 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 [1-(aminomethyl)-3-methylcyclopentyl]-(5-chloro-1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 114239541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).