(3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol

C13H17N3O — CID 113365556

IUPAC(3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol
SMILESCCn1ccnc1C(O)c1ncc(C)cc1C
InChIInChI=1S/C13H17N3O/c1-4-16-6-5-14-13(16)12(17)11-10(3)7-9(2)8-15-11/h5-8,12,17H,4H2,1-3H3
InChIKeyYIGDWDUQEDVLKJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.00
Rot. Bonds3

About (3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol

(3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol (PubChem CID 113365556) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol
PubChem CID113365556
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol
SMILESCCn1ccnc1C(O)c1ncc(C)cc1C
InChIInChI=1S/C13H17N3O/c1-4-16-6-5-14-13(16)12(17)11-10(3)7-9(2)8-15-11/h5-8,12,17H,4H2,1-3H3
InChIKeyYIGDWDUQEDVLKJ-UHFFFAOYSA-N
XLogP2.00
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol
CID 113365536
[(3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105266290
1-(3,5-dimethyl-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 113365596
(4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol
CID 61316871
(1-ethylimidazol-2-yl)-pyridazin-4-ylmethanol
CID 104672120
(2,5-dimethoxyphenyl)-(1-ethylimidazol-2-yl)methanol
CID 3140475
(1-ethylimidazol-2-yl)-(6-methoxynaphthalen-2-yl)methanol
CID 63976278
(1-ethylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 2890298
1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol
CID 169267261
(3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314221
(5-bromo-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol
CID 62960127
(3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 113365534

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol?
The IUPAC name of (3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol (CID 113365556) is (3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol.
What is the SMILES notation for (3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol?
The canonical SMILES for (3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol is CCn1ccnc1C(O)c1ncc(C)cc1C.
What is the InChIKey of (3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol?
The InChIKey is YIGDWDUQEDVLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-16-6-5-14-13(16)12(17)11-10(3)7-9(2)8-15-11/h5-8,12,17H,4H2,1-3H3.
What are the key properties of (3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol?
(3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol has a molecular weight of 231.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol is sourced from PubChem (CID 113365556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).