[4-(1H-imidazol-2-yl)phenyl]-(2-methoxy-3-pyridinyl)methanol

C16H15N3O2 — CID 70471631

IUPAC[4-(1H-imidazol-2-yl)phenyl]-(2-methoxy-3-pyridinyl)methanol
SMILESCOc1ncccc1C(O)c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C16H15N3O2/c1-21-16-13(3-2-8-19-16)14(20)11-4-6-12(7-5-11)15-17-9-10-18-15/h2-10,14,20H,1H3,(H,17,18)
InChIKeyYFTSZQIUQPKTPG-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.56
Rot. Bonds4

About [4-(1H-imidazol-2-yl)phenyl]-(2-methoxy-3-pyridinyl)methanol

[4-(1H-imidazol-2-yl)phenyl]-(2-methoxy-3-pyridinyl)methanol (PubChem CID 70471631) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is [4-(1H-imidazol-2-yl)phenyl]-(2-methoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name[4-(1H-imidazol-2-yl)phenyl]-(2-methoxy-3-pyridinyl)methanol
PubChem CID70471631
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name[4-(1H-imidazol-2-yl)phenyl]-(2-methoxy-3-pyridinyl)methanol
SMILESCOc1ncccc1C(O)c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C16H15N3O2/c1-21-16-13(3-2-8-19-16)14(20)11-4-6-12(7-5-11)15-17-9-10-18-15/h2-10,14,20H,1H3,(H,17,18)
InChIKeyYFTSZQIUQPKTPG-UHFFFAOYSA-N
XLogP2.56
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-2-yl)phenyl]-(2-methoxy-3-pyridinyl)methanol?
The IUPAC name of [4-(1H-imidazol-2-yl)phenyl]-(2-methoxy-3-pyridinyl)methanol (CID 70471631) is [4-(1H-imidazol-2-yl)phenyl]-(2-methoxy-3-pyridinyl)methanol.
What is the SMILES notation for [4-(1H-imidazol-2-yl)phenyl]-(2-methoxy-3-pyridinyl)methanol?
The canonical SMILES for [4-(1H-imidazol-2-yl)phenyl]-(2-methoxy-3-pyridinyl)methanol is COc1ncccc1C(O)c1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of [4-(1H-imidazol-2-yl)phenyl]-(2-methoxy-3-pyridinyl)methanol?
The InChIKey is YFTSZQIUQPKTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-16-13(3-2-8-19-16)14(20)11-4-6-12(7-5-11)15-17-9-10-18-15/h2-10,14,20H,1H3,(H,17,18).
What are the key properties of [4-(1H-imidazol-2-yl)phenyl]-(2-methoxy-3-pyridinyl)methanol?
[4-(1H-imidazol-2-yl)phenyl]-(2-methoxy-3-pyridinyl)methanol has a molecular weight of 281.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-2-yl)phenyl]-(2-methoxy-3-pyridinyl)methanol is sourced from PubChem (CID 70471631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).