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

C12H15N3O — CID 105098837

IUPAC1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol
SMILESCn1ccnc1C(O)CCc1ccncc1
InChIInChI=1S/C12H15N3O/c1-15-9-8-14-12(15)11(16)3-2-10-4-6-13-7-5-10/h4-9,11,16H,2-3H2,1H3
InChIKeyMMADCRQFBPGGKP-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.48
Rot. Bonds4

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

1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol (PubChem CID 105098837) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol
PubChem CID105098837
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol
SMILESCn1ccnc1C(O)CCc1ccncc1
InChIInChI=1S/C12H15N3O/c1-15-9-8-14-12(15)11(16)3-2-10-4-6-13-7-5-10/h4-9,11,16H,2-3H2,1H3
InChIKeyMMADCRQFBPGGKP-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-(1-methylimidazol-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105098854
4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol
CID 79954074
3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol
CID 114529061
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
CID 60904183
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 79752618
1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol
CID 63976645
2-(3-bromophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63975789
2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63976213
1-(1-methylimidazol-2-yl)-N-propyl-5-pyridin-4-ylpentan-3-amine
CID 105187730
1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 105149668
N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine
CID 63974955
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol?
The IUPAC name of 1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol (CID 105098837) is 1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol is Cn1ccnc1C(O)CCc1ccncc1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol?
The InChIKey is MMADCRQFBPGGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-9-8-14-12(15)11(16)3-2-10-4-6-13-7-5-10/h4-9,11,16H,2-3H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol?
1-(1-methylimidazol-2-yl)-3-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 1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 105098837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).