3,4-bis(3-amino-4-methoxyphenyl)-2-oxoimidazole-1-carbaldehyde

C18H18N4O4 — CID 25030515

IUPAC3,4-bis(3-amino-4-methoxyphenyl)-2-oxoimidazole-1-carbaldehyde
SMILESCOc1ccc(-c2cn(C=O)c(=O)n2-c2ccc(OC)c(N)c2)cc1N
InChIInChI=1S/C18H18N4O4/c1-25-16-5-3-11(7-13(16)19)15-9-21(10-23)18(24)22(15)12-4-6-17(26-2)14(20)8-12/h3-10H,19-20H2,1-2H3
InChIKeyNQISYPDGUAGROX-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.53
Rot. Bonds5

About 3,4-bis(3-amino-4-methoxyphenyl)-2-oxoimidazole-1-carbaldehyde

3,4-bis(3-amino-4-methoxyphenyl)-2-oxoimidazole-1-carbaldehyde (PubChem CID 25030515) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 3,4-bis(3-amino-4-methoxyphenyl)-2-oxoimidazole-1-carbaldehyde.

Molecular Properties

Compound Name3,4-bis(3-amino-4-methoxyphenyl)-2-oxoimidazole-1-carbaldehyde
PubChem CID25030515
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name3,4-bis(3-amino-4-methoxyphenyl)-2-oxoimidazole-1-carbaldehyde
SMILESCOc1ccc(-c2cn(C=O)c(=O)n2-c2ccc(OC)c(N)c2)cc1N
InChIInChI=1S/C18H18N4O4/c1-25-16-5-3-11(7-13(16)19)15-9-21(10-23)18(24)22(15)12-4-6-17(26-2)14(20)8-12/h3-10H,19-20H2,1-2H3
InChIKeyNQISYPDGUAGROX-UHFFFAOYSA-N
XLogP1.53
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(3-amino-4-methoxyphenyl)-2-oxoimidazole-1-carbaldehyde?
The IUPAC name of 3,4-bis(3-amino-4-methoxyphenyl)-2-oxoimidazole-1-carbaldehyde (CID 25030515) is 3,4-bis(3-amino-4-methoxyphenyl)-2-oxoimidazole-1-carbaldehyde.
What is the SMILES notation for 3,4-bis(3-amino-4-methoxyphenyl)-2-oxoimidazole-1-carbaldehyde?
The canonical SMILES for 3,4-bis(3-amino-4-methoxyphenyl)-2-oxoimidazole-1-carbaldehyde is COc1ccc(-c2cn(C=O)c(=O)n2-c2ccc(OC)c(N)c2)cc1N.
What is the InChIKey of 3,4-bis(3-amino-4-methoxyphenyl)-2-oxoimidazole-1-carbaldehyde?
The InChIKey is NQISYPDGUAGROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-25-16-5-3-11(7-13(16)19)15-9-21(10-23)18(24)22(15)12-4-6-17(26-2)14(20)8-12/h3-10H,19-20H2,1-2H3.
What are the key properties of 3,4-bis(3-amino-4-methoxyphenyl)-2-oxoimidazole-1-carbaldehyde?
3,4-bis(3-amino-4-methoxyphenyl)-2-oxoimidazole-1-carbaldehyde has a molecular weight of 354.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(3-amino-4-methoxyphenyl)-2-oxoimidazole-1-carbaldehyde is sourced from PubChem (CID 25030515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).