2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

C15H22N4O — CID 91759618

IUPAC2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCCc1ccc(CN(CCO)Cc2nccn2C)nc1
InChIInChI=1S/C15H22N4O/c1-3-13-4-5-14(17-10-13)11-19(8-9-20)12-15-16-6-7-18(15)2/h4-7,10,20H,3,8-9,11-12H2,1-2H3
InChIKeySQKPBKMUVRFZNO-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.37
Rot. Bonds7

About 2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (PubChem CID 91759618) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
PubChem CID91759618
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCCc1ccc(CN(CCO)Cc2nccn2C)nc1
InChIInChI=1S/C15H22N4O/c1-3-13-4-5-14(17-10-13)11-19(8-9-20)12-15-16-6-7-18(15)2/h4-7,10,20H,3,8-9,11-12H2,1-2H3
InChIKeySQKPBKMUVRFZNO-UHFFFAOYSA-N
XLogP1.37
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (CID 91759618) is 2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is CCc1ccc(CN(CCO)Cc2nccn2C)nc1.
What is the InChIKey of 2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The InChIKey is SQKPBKMUVRFZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-13-4-5-14(17-10-13)11-19(8-9-20)12-15-16-6-7-18(15)2/h4-7,10,20H,3,8-9,11-12H2,1-2H3.
What are the key properties of 2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol has a molecular weight of 274.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 91759618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).