2-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]ethanol

C18H22N6O — CID 70774706

IUPAC2-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]ethanol
SMILESOCCc1ccccc1-n1ccnc1-c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H22N6O/c25-12-7-14-3-1-2-4-17(14)23-11-10-20-18(23)16-13-24(22-21-16)15-5-8-19-9-6-15/h1-4,10-11,13,15,19,25H,5-9,12H2
InChIKeyJHLPAVXHBRJWPY-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.59
Rot. Bonds5

About 2-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]ethanol

2-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]ethanol (PubChem CID 70774706) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]ethanol
PubChem CID70774706
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]ethanol
SMILESOCCc1ccccc1-n1ccnc1-c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H22N6O/c25-12-7-14-3-1-2-4-17(14)23-11-10-20-18(23)16-13-24(22-21-16)15-5-8-19-9-6-15/h1-4,10-11,13,15,19,25H,5-9,12H2
InChIKeyJHLPAVXHBRJWPY-UHFFFAOYSA-N
XLogP1.59
TPSA80.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]ethanol?
The IUPAC name of 2-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]ethanol (CID 70774706) is 2-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]ethanol.
What is the SMILES notation for 2-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]ethanol?
The canonical SMILES for 2-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]ethanol is OCCc1ccccc1-n1ccnc1-c1cn(C2CCNCC2)nn1.
What is the InChIKey of 2-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]ethanol?
The InChIKey is JHLPAVXHBRJWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c25-12-7-14-3-1-2-4-17(14)23-11-10-20-18(23)16-13-24(22-21-16)15-5-8-19-9-6-15/h1-4,10-11,13,15,19,25H,5-9,12H2.
What are the key properties of 2-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]ethanol?
2-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]ethanol has a molecular weight of 338.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]ethanol is sourced from PubChem (CID 70774706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).