[1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol

C11H13N3O — CID 106717495

IUPAC[1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol
SMILESCc1cccc(Cn2cnc(CO)c2)n1
InChIInChI=1S/C11H13N3O/c1-9-3-2-4-10(13-9)5-14-6-11(7-15)12-8-14/h2-4,6,8,15H,5,7H2,1H3
InChIKeySFGVRQIZIHWWDB-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.13
Rot. Bonds3

About [1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol

[1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol (PubChem CID 106717495) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is [1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol
PubChem CID106717495
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name[1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol
SMILESCc1cccc(Cn2cnc(CO)c2)n1
InChIInChI=1S/C11H13N3O/c1-9-3-2-4-10(13-9)5-14-6-11(7-15)12-8-14/h2-4,6,8,15H,5,7H2,1H3
InChIKeySFGVRQIZIHWWDB-UHFFFAOYSA-N
XLogP1.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol (CID 106717495) is [1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol is Cc1cccc(Cn2cnc(CO)c2)n1.
What is the InChIKey of [1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol?
The InChIKey is SFGVRQIZIHWWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9-3-2-4-10(13-9)5-14-6-11(7-15)12-8-14/h2-4,6,8,15H,5,7H2,1H3.
What are the key properties of [1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol?
[1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol has a molecular weight of 203.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 106717495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).