3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol

C12H15N3O — CID 114529061

IUPAC3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol
SMILESCn1ccnc1CCC(O)c1ccncc1
InChIInChI=1S/C12H15N3O/c1-15-9-8-14-12(15)3-2-11(16)10-4-6-13-7-5-10/h4-9,11,16H,2-3H2,1H3
InChIKeyYLYNDNPADNVIJS-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.48
Rot. Bonds4

About 3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol

3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol (PubChem CID 114529061) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol
PubChem CID114529061
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol
SMILESCn1ccnc1CCC(O)c1ccncc1
InChIInChI=1S/C12H15N3O/c1-15-9-8-14-12(15)3-2-11(16)10-4-6-13-7-5-10/h4-9,11,16H,2-3H2,1H3
InChIKeyYLYNDNPADNVIJS-UHFFFAOYSA-N
XLogP1.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106695562
1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529824
1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 107978722
1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529889
1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 105066465
1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 103217155
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837988
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529055
1-(4-methoxy-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529108
1-(3-bromo-4-methoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529049
3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
CID 103005969
4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine
CID 114530112

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol?
The IUPAC name of 3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol (CID 114529061) is 3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol is Cn1ccnc1CCC(O)c1ccncc1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol?
The InChIKey is YLYNDNPADNVIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-9-8-14-12(15)3-2-11(16)10-4-6-13-7-5-10/h4-9,11,16H,2-3H2,1H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol?
3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol has a molecular weight of 217.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 114529061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).