(1-benzylimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol

C19H20N2O3 — CID 626186

IUPAC(1-benzylimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2nccn2Cc2ccccc2)c1OC
InChIInChI=1S/C19H20N2O3/c1-23-16-10-6-9-15(18(16)24-2)17(22)19-20-11-12-21(19)13-14-7-4-3-5-8-14/h3-12,17,22H,13H2,1-2H3
InChIKeyCWHVKENAXHDNCD-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.03
Rot. Bonds6

About (1-benzylimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol

(1-benzylimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol (PubChem CID 626186) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (1-benzylimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(1-benzylimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
PubChem CID626186
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(1-benzylimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2nccn2Cc2ccccc2)c1OC
InChIInChI=1S/C19H20N2O3/c1-23-16-10-6-9-15(18(16)24-2)17(22)19-20-11-12-21(19)13-14-7-4-3-5-8-14/h3-12,17,22H,13H2,1-2H3
InChIKeyCWHVKENAXHDNCD-UHFFFAOYSA-N
XLogP3.03
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-benzylimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol?
The IUPAC name of (1-benzylimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol (CID 626186) is (1-benzylimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol.
What is the SMILES notation for (1-benzylimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol?
The canonical SMILES for (1-benzylimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol is COc1cccc(C(O)c2nccn2Cc2ccccc2)c1OC.
What is the InChIKey of (1-benzylimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol?
The InChIKey is CWHVKENAXHDNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-16-10-6-9-15(18(16)24-2)17(22)19-20-11-12-21(19)13-14-7-4-3-5-8-14/h3-12,17,22H,13H2,1-2H3.
What are the key properties of (1-benzylimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol?
(1-benzylimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol has a molecular weight of 324.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol is sourced from PubChem (CID 626186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).