[3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol

C12H15N3O — CID 82744844

IUPAC[3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol
SMILESCCc1cccnc1Cn1cncc1CO
InChIInChI=1S/C12H15N3O/c1-2-10-4-3-5-14-12(10)7-15-9-13-6-11(15)8-16/h3-6,9,16H,2,7-8H2,1H3
InChIKeyXLHHWMSCZZSMEE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.38
Rot. Bonds4

About [3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol

[3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol (PubChem CID 82744844) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol
PubChem CID82744844
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol
SMILESCCc1cccnc1Cn1cncc1CO
InChIInChI=1S/C12H15N3O/c1-2-10-4-3-5-14-12(10)7-15-9-13-6-11(15)8-16/h3-6,9,16H,2,7-8H2,1H3
InChIKeyXLHHWMSCZZSMEE-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 66150154
2,3-diethylpyridine
CID 14747123
[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol
CID 106303410
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
[3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol
CID 66150197
3-ethyl-2-(iodomethyl)pyridine
CID 166542162
[3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]methanol
CID 66152427
N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 82731778
[3-[(6-bromo-3-pyridinyl)methyl]imidazol-4-yl]methanol
CID 54016966
1-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106578976
2-dodecyl-3-ethylpyridine
CID 160514040
4-[3-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-one
CID 14577657

Frequently Asked Questions

What is the IUPAC name of [3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol (CID 82744844) is [3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol is CCc1cccnc1Cn1cncc1CO.
What is the InChIKey of [3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol?
The InChIKey is XLHHWMSCZZSMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-10-4-3-5-14-12(10)7-15-9-13-6-11(15)8-16/h3-6,9,16H,2,7-8H2,1H3.
What are the key properties of [3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol?
[3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol has a molecular weight of 217.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-ethyl-2-pyridinyl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 82744844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).