(2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol

C13H17N3O2 — CID 55125650

IUPAC(2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1cccnc1OC
InChIInChI=1S/C13H17N3O2/c1-3-8-16-9-7-14-12(16)11(17)10-5-4-6-15-13(10)18-2/h4-7,9,11,17H,3,8H2,1-2H3
InChIKeyMEXMBVMBEJUHDI-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.78
Rot. Bonds5

About (2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol

(2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol (PubChem CID 55125650) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol
PubChem CID55125650
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1cccnc1OC
InChIInChI=1S/C13H17N3O2/c1-3-8-16-9-7-14-12(16)11(17)10-5-4-6-15-13(10)18-2/h4-7,9,11,17H,3,8H2,1-2H3
InChIKeyMEXMBVMBEJUHDI-UHFFFAOYSA-N
XLogP1.78
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)-(1-propylimidazol-2-yl)methanol
CID 61317073
(1-ethylimidazol-2-yl)-quinolin-8-ylmethanol
CID 55126409
(1-propylimidazol-2-yl)-pyridin-3-ylmethanol
CID 61315543
(2,5-dimethoxyphenyl)-(1-ethylimidazol-2-yl)methanol
CID 3140475
(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
CID 63976483
(2-methoxy-3-pyridinyl)-(2-propoxyphenyl)methanol
CID 105125991
(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 65311695
(2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 81116918
(4-ethoxyphenyl)-(2-methoxy-3-pyridinyl)methanol
CID 115605144
(2-methoxy-3-pyridinyl)-(2-methylpyrazol-3-yl)methanol
CID 105098313
(2-bromo-5-chlorophenyl)-(1-propylimidazol-2-yl)methanol
CID 66156091
(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol
CID 114822737

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol?
The IUPAC name of (2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol (CID 55125650) is (2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol?
The canonical SMILES for (2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol is CCCn1ccnc1C(O)c1cccnc1OC.
What is the InChIKey of (2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol?
The InChIKey is MEXMBVMBEJUHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-8-16-9-7-14-12(16)11(17)10-5-4-6-15-13(10)18-2/h4-7,9,11,17H,3,8H2,1-2H3.
What are the key properties of (2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol?
(2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol has a molecular weight of 247.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-(1-propylimidazol-2-yl)methanol is sourced from PubChem (CID 55125650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).