5-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxybenzene-1,3-diol

C20H23N3O4 — CID 10970661

IUPAC5-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxybenzene-1,3-diol
SMILESCOc1ccc(Cc2nc(N)n(C)c2Cc2cc(O)c(OC)c(O)c2)cc1
InChIInChI=1S/C20H23N3O4/c1-23-16(9-13-10-17(24)19(27-3)18(25)11-13)15(22-20(23)21)8-12-4-6-14(26-2)7-5-12/h4-7,10-11,24-25H,8-9H2,1-3H3,(H2,21,22)
InChIKeyRJCHCFQTUKAYAA-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.61
Rot. Bonds6

About 5-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxybenzene-1,3-diol

5-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxybenzene-1,3-diol (PubChem CID 10970661) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxybenzene-1,3-diol.

Molecular Properties

Compound Name5-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxybenzene-1,3-diol
PubChem CID10970661
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name5-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxybenzene-1,3-diol
SMILESCOc1ccc(Cc2nc(N)n(C)c2Cc2cc(O)c(OC)c(O)c2)cc1
InChIInChI=1S/C20H23N3O4/c1-23-16(9-13-10-17(24)19(27-3)18(25)11-13)15(22-20(23)21)8-12-4-6-14(26-2)7-5-12/h4-7,10-11,24-25H,8-9H2,1-3H3,(H2,21,22)
InChIKeyRJCHCFQTUKAYAA-UHFFFAOYSA-N
XLogP2.61
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxybenzene-1,3-diol?
The IUPAC name of 5-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxybenzene-1,3-diol (CID 10970661) is 5-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxybenzene-1,3-diol.
What is the SMILES notation for 5-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxybenzene-1,3-diol?
The canonical SMILES for 5-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxybenzene-1,3-diol is COc1ccc(Cc2nc(N)n(C)c2Cc2cc(O)c(OC)c(O)c2)cc1.
What is the InChIKey of 5-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxybenzene-1,3-diol?
The InChIKey is RJCHCFQTUKAYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-23-16(9-13-10-17(24)19(27-3)18(25)11-13)15(22-20(23)21)8-12-4-6-14(26-2)7-5-12/h4-7,10-11,24-25H,8-9H2,1-3H3,(H2,21,22).
What are the key properties of 5-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxybenzene-1,3-diol?
5-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxybenzene-1,3-diol has a molecular weight of 369.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2-methoxybenzene-1,3-diol is sourced from PubChem (CID 10970661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).