2-[(4-methoxy-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

C14H20N4O2 — CID 91838273

IUPAC2-[(4-methoxy-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCOc1ccnc(CN(CCO)Cc2nccn2C)c1
InChIInChI=1S/C14H20N4O2/c1-17-6-5-16-14(17)11-18(7-8-19)10-12-9-13(20-2)3-4-15-12/h3-6,9,19H,7-8,10-11H2,1-2H3
InChIKeyLLVUYNCXRUTDMK-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.82
Rot. Bonds7

About 2-[(4-methoxy-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

2-[(4-methoxy-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (PubChem CID 91838273) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(4-methoxy-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(4-methoxy-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
PubChem CID91838273
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[(4-methoxy-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCOc1ccnc(CN(CCO)Cc2nccn2C)c1
InChIInChI=1S/C14H20N4O2/c1-17-6-5-16-14(17)11-18(7-8-19)10-12-9-13(20-2)3-4-15-12/h3-6,9,19H,7-8,10-11H2,1-2H3
InChIKeyLLVUYNCXRUTDMK-UHFFFAOYSA-N
XLogP0.82
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[(4-methoxy-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (CID 91838273) is 2-[(4-methoxy-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(4-methoxy-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[(4-methoxy-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is COc1ccnc(CN(CCO)Cc2nccn2C)c1.
What is the InChIKey of 2-[(4-methoxy-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The InChIKey is LLVUYNCXRUTDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17-6-5-16-14(17)11-18(7-8-19)10-12-9-13(20-2)3-4-15-12/h3-6,9,19H,7-8,10-11H2,1-2H3.
What are the key properties of 2-[(4-methoxy-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
2-[(4-methoxy-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol has a molecular weight of 276.34 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 91838273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).