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

C12H15N3O — CID 79752618

IUPAC1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol
SMILESCn1ccnc1CC(O)Cc1ccncc1
InChIInChI=1S/C12H15N3O/c1-15-7-6-14-12(15)9-11(16)8-10-2-4-13-5-3-10/h2-7,11,16H,8-9H2,1H3
InChIKeyLFZSRKPZZQTCGH-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.96
Rot. Bonds4

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

1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol (PubChem CID 79752618) 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-2-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol
PubChem CID79752618
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol
SMILESCn1ccnc1CC(O)Cc1ccncc1
InChIInChI=1S/C12H15N3O/c1-15-7-6-14-12(15)9-11(16)8-10-2-4-13-5-3-10/h2-7,11,16H,8-9H2,1H3
InChIKeyLFZSRKPZZQTCGH-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79751415
4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine
CID 114530112
1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 103170139
3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol
CID 114529061
2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol
CID 79745049
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79751317
1-(1-methylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105113610
1-(3-chloro-4-pyridinyl)-2-(1-methylimidazol-2-yl)ethanol
CID 105113541
1-(1-methylimidazol-2-yl)-5-thiophen-2-ylpentan-2-ol
CID 105113589
1-(4-bromophenyl)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79762429
1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79761950

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol?
The IUPAC name of 1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol (CID 79752618) is 1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol is Cn1ccnc1CC(O)Cc1ccncc1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol?
The InChIKey is LFZSRKPZZQTCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-7-6-14-12(15)9-11(16)8-10-2-4-13-5-3-10/h2-7,11,16H,8-9H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol?
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol has a molecular weight of 217.27 g/mol, XLogP of 0.96, 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-2-ol is sourced from PubChem (CID 79752618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).