(3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride

C17H20Cl2N4O3Pt — CID 11261863

IUPAC(3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride
SMILESCOc1cc(OC)cc(C(O)(c2nccn2C)c2nccn2C)c1.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C17H20N4O3.2ClH.Pt/c1-20-7-5-18-15(20)17(22,16-19-6-8-21(16)2)12-9-13(23-3)11-14(10-12)24-4;;;/h5-11,22H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyMHGTZPIHPQRJPK-UHFFFAOYSA-L
MW594.36 g/mol
LogP-4.54
Rot. Bonds5

About (3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride

(3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride (PubChem CID 11261863) has the molecular formula C17H20Cl2N4O3Pt and a molecular weight of 594.36 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride
PubChem CID11261863
Molecular FormulaC17H20Cl2N4O3Pt
Molecular Weight594.36 g/mol
Exact Mass593.06
IUPAC Name(3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride
SMILESCOc1cc(OC)cc(C(O)(c2nccn2C)c2nccn2C)c1.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C17H20N4O3.2ClH.Pt/c1-20-7-5-18-15(20)17(22,16-19-6-8-21(16)2)12-9-13(23-3)11-14(10-12)24-4;;;/h5-11,22H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyMHGTZPIHPQRJPK-UHFFFAOYSA-L
XLogP-4.54
TPSA74.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.36
LogP ≤ 5-4.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[hydroxy-bis(1-methylimidazol-2-yl)methyl]phenyl]-bis(1-methylimidazol-2-yl)methanol
CID 101095926
3,3-dimethyl-2-(1-methylimidazol-2-yl)butan-2-ol
CID 14531586
1-(3-methoxyphenyl)-1-(1-propylimidazol-2-yl)ethanol
CID 63974584
(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
CID 9115286
(3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 25350659
4-(1-methylimidazol-2-yl)heptan-4-ol
CID 114865853
2,8-bis(1-methylimidazol-2-yl)nonane-2,8-diol
CID 14040391
2-(2,5-dimethoxyphenyl)-1-methylimidazole
CID 82079235
tert-butyl N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamate
CID 95318789
4-methoxy-2-(1-methylimidazol-2-yl)phenol
CID 136869285
(2,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2891507
2,2,2-tris(1-methylimidazol-2-yl)acetaldehyde
CID 71676654

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride?
The IUPAC name of (3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride (CID 11261863) is (3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride.
What is the SMILES notation for (3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride?
The canonical SMILES for (3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride is COc1cc(OC)cc(C(O)(c2nccn2C)c2nccn2C)c1.[Cl-].[Cl-].[Pt+2].
What is the InChIKey of (3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride?
The InChIKey is MHGTZPIHPQRJPK-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H20N4O3.2ClH.Pt/c1-20-7-5-18-15(20)17(22,16-19-6-8-21(16)2)12-9-13(23-3)11-14(10-12)24-4;;;/h5-11,22H,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of (3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride?
(3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride has a molecular weight of 594.36 g/mol, XLogP of -4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-bis(1-methylimidazol-2-yl)methanol;platinum(2+);dichloride is sourced from PubChem (CID 11261863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).