[6-methoxy-5-(4-methylimidazol-1-yl)-2,3-dihydropyridin-2-yl]methanol

C11H15N3O2 — CID 70234159

IUPAC[6-methoxy-5-(4-methylimidazol-1-yl)-2,3-dihydropyridin-2-yl]methanol
SMILESCOC1=NC(CO)CC=C1n1cnc(C)c1
InChIInChI=1S/C11H15N3O2/c1-8-5-14(7-12-8)10-4-3-9(6-15)13-11(10)16-2/h4-5,7,9,15H,3,6H2,1-2H3
InChIKeyBZXAMKFVIGSLNO-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.84
Rot. Bonds2

About [6-methoxy-5-(4-methylimidazol-1-yl)-2,3-dihydropyridin-2-yl]methanol

[6-methoxy-5-(4-methylimidazol-1-yl)-2,3-dihydropyridin-2-yl]methanol (PubChem CID 70234159) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is [6-methoxy-5-(4-methylimidazol-1-yl)-2,3-dihydropyridin-2-yl]methanol.

Molecular Properties

Compound Name[6-methoxy-5-(4-methylimidazol-1-yl)-2,3-dihydropyridin-2-yl]methanol
PubChem CID70234159
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name[6-methoxy-5-(4-methylimidazol-1-yl)-2,3-dihydropyridin-2-yl]methanol
SMILESCOC1=NC(CO)CC=C1n1cnc(C)c1
InChIInChI=1S/C11H15N3O2/c1-8-5-14(7-12-8)10-4-3-9(6-15)13-11(10)16-2/h4-5,7,9,15H,3,6H2,1-2H3
InChIKeyBZXAMKFVIGSLNO-UHFFFAOYSA-N
XLogP0.84
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-5-(4-methylimidazol-1-yl)-2,3-dihydropyridin-2-yl]methanol?
The IUPAC name of [6-methoxy-5-(4-methylimidazol-1-yl)-2,3-dihydropyridin-2-yl]methanol (CID 70234159) is [6-methoxy-5-(4-methylimidazol-1-yl)-2,3-dihydropyridin-2-yl]methanol.
What is the SMILES notation for [6-methoxy-5-(4-methylimidazol-1-yl)-2,3-dihydropyridin-2-yl]methanol?
The canonical SMILES for [6-methoxy-5-(4-methylimidazol-1-yl)-2,3-dihydropyridin-2-yl]methanol is COC1=NC(CO)CC=C1n1cnc(C)c1.
What is the InChIKey of [6-methoxy-5-(4-methylimidazol-1-yl)-2,3-dihydropyridin-2-yl]methanol?
The InChIKey is BZXAMKFVIGSLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-5-14(7-12-8)10-4-3-9(6-15)13-11(10)16-2/h4-5,7,9,15H,3,6H2,1-2H3.
What are the key properties of [6-methoxy-5-(4-methylimidazol-1-yl)-2,3-dihydropyridin-2-yl]methanol?
[6-methoxy-5-(4-methylimidazol-1-yl)-2,3-dihydropyridin-2-yl]methanol has a molecular weight of 221.26 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-5-(4-methylimidazol-1-yl)-2,3-dihydropyridin-2-yl]methanol is sourced from PubChem (CID 70234159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).