[2-[hydroxy(phenyl)methyl]-3-(methoxymethyl)imidazol-4-yl]-phenylmethanol

C19H20N2O3 — CID 13161800

IUPAC[2-[hydroxy(phenyl)methyl]-3-(methoxymethyl)imidazol-4-yl]-phenylmethanol
SMILESCOCn1c(C(O)c2ccccc2)cnc1C(O)c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-24-13-21-16(17(22)14-8-4-2-5-9-14)12-20-19(21)18(23)15-10-6-3-7-11-15/h2-12,17-18,22-23H,13H2,1H3
InChIKeyHQHCUCBPPWBWQP-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.65
Rot. Bonds6

About [2-[hydroxy(phenyl)methyl]-3-(methoxymethyl)imidazol-4-yl]-phenylmethanol

[2-[hydroxy(phenyl)methyl]-3-(methoxymethyl)imidazol-4-yl]-phenylmethanol (PubChem CID 13161800) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is [2-[hydroxy(phenyl)methyl]-3-(methoxymethyl)imidazol-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[2-[hydroxy(phenyl)methyl]-3-(methoxymethyl)imidazol-4-yl]-phenylmethanol
PubChem CID13161800
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name[2-[hydroxy(phenyl)methyl]-3-(methoxymethyl)imidazol-4-yl]-phenylmethanol
SMILESCOCn1c(C(O)c2ccccc2)cnc1C(O)c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-24-13-21-16(17(22)14-8-4-2-5-9-14)12-20-19(21)18(23)15-10-6-3-7-11-15/h2-12,17-18,22-23H,13H2,1H3
InChIKeyHQHCUCBPPWBWQP-UHFFFAOYSA-N
XLogP2.65
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy(phenyl)methyl]-3-(methoxymethyl)imidazol-4-yl]-phenylmethanol?
The IUPAC name of [2-[hydroxy(phenyl)methyl]-3-(methoxymethyl)imidazol-4-yl]-phenylmethanol (CID 13161800) is [2-[hydroxy(phenyl)methyl]-3-(methoxymethyl)imidazol-4-yl]-phenylmethanol.
What is the SMILES notation for [2-[hydroxy(phenyl)methyl]-3-(methoxymethyl)imidazol-4-yl]-phenylmethanol?
The canonical SMILES for [2-[hydroxy(phenyl)methyl]-3-(methoxymethyl)imidazol-4-yl]-phenylmethanol is COCn1c(C(O)c2ccccc2)cnc1C(O)c1ccccc1.
What is the InChIKey of [2-[hydroxy(phenyl)methyl]-3-(methoxymethyl)imidazol-4-yl]-phenylmethanol?
The InChIKey is HQHCUCBPPWBWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-13-21-16(17(22)14-8-4-2-5-9-14)12-20-19(21)18(23)15-10-6-3-7-11-15/h2-12,17-18,22-23H,13H2,1H3.
What are the key properties of [2-[hydroxy(phenyl)methyl]-3-(methoxymethyl)imidazol-4-yl]-phenylmethanol?
[2-[hydroxy(phenyl)methyl]-3-(methoxymethyl)imidazol-4-yl]-phenylmethanol has a molecular weight of 324.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy(phenyl)methyl]-3-(methoxymethyl)imidazol-4-yl]-phenylmethanol is sourced from PubChem (CID 13161800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).