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

C14H19N3O — CID 113365536

IUPAC(3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1ncc(C)cc1C
InChIInChI=1S/C14H19N3O/c1-4-6-17-7-5-15-14(17)13(18)12-11(3)8-10(2)9-16-12/h5,7-9,13,18H,4,6H2,1-3H3
InChIKeyWJVKPEHSZHAILA-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.39
Rot. Bonds4

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

(3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol (PubChem CID 113365536) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol
PubChem CID113365536
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)c1ncc(C)cc1C
InChIInChI=1S/C14H19N3O/c1-4-6-17-7-5-15-14(17)13(18)12-11(3)8-10(2)9-16-12/h5,7-9,13,18H,4,6H2,1-3H3
InChIKeyWJVKPEHSZHAILA-UHFFFAOYSA-N
XLogP2.39
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol
CID 113365556
(4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol
CID 114329829
(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanol
CID 114822737
(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 65311695
(2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 81116918
[(3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methyl]hydrazine
CID 105266290
(3-methoxyphenyl)-(1-propylimidazol-2-yl)methanol
CID 61317073
(5-methylfuran-2-yl)-(1-propylimidazol-2-yl)methanol
CID 61316298
(3-methylimidazol-4-yl)-(1-propylimidazol-2-yl)methanol
CID 66117982
(1-propylimidazol-2-yl)-pyridin-3-ylmethanol
CID 61315543
(1-propylimidazol-2-yl)-(1H-pyrazol-4-yl)methanol
CID 63080686
(5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol
CID 105098446

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol?
The IUPAC name of (3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol (CID 113365536) is (3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol.
What is the SMILES notation for (3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol?
The canonical SMILES for (3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol is CCCn1ccnc1C(O)c1ncc(C)cc1C.
What is the InChIKey of (3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol?
The InChIKey is WJVKPEHSZHAILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-6-17-7-5-15-14(17)13(18)12-11(3)8-10(2)9-16-12/h5,7-9,13,18H,4,6H2,1-3H3.
What are the key properties of (3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol?
(3,5-dimethyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanol has a molecular weight of 245.33 g/mol, XLogP of 2.39, 4 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-propylimidazol-2-yl)methanol is sourced from PubChem (CID 113365536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).