N-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide

C14H21BrN4O3 — CID 56642895

IUPACN-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
SMILESBr.COc1ccc(/C=N/N(C)C2=NCCN2)c(OC)c1OC
InChIInChI=1S/C14H20N4O3.BrH/c1-18(14-15-7-8-16-14)17-9-10-5-6-11(19-2)13(21-4)12(10)20-3;/h5-6,9H,7-8H2,1-4H3,(H,15,16);1H/b17-9+;
InChIKeyZQMOZCNGUKZMBW-WWIHJBQESA-N
MW373.25 g/mol
LogP1.52
Rot. Bonds5

About N-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide

N-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide (PubChem CID 56642895) has the molecular formula C14H21BrN4O3 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
PubChem CID56642895
Molecular FormulaC14H21BrN4O3
Molecular Weight373.25 g/mol
Exact Mass372.08
IUPAC NameN-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
SMILESBr.COc1ccc(/C=N/N(C)C2=NCCN2)c(OC)c1OC
InChIInChI=1S/C14H20N4O3.BrH/c1-18(14-15-7-8-16-14)17-9-10-5-6-11(19-2)13(21-4)12(10)20-3;/h5-6,9H,7-8H2,1-4H3,(H,15,16);1H/b17-9+;
InChIKeyZQMOZCNGUKZMBW-WWIHJBQESA-N
XLogP1.52
TPSA67.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
The IUPAC name of N-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide (CID 56642895) is N-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide.
What is the SMILES notation for N-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
The canonical SMILES for N-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide is Br.COc1ccc(/C=N/N(C)C2=NCCN2)c(OC)c1OC.
What is the InChIKey of N-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
The InChIKey is ZQMOZCNGUKZMBW-WWIHJBQESA-N. The full InChI is InChI=1S/C14H20N4O3.BrH/c1-18(14-15-7-8-16-14)17-9-10-5-6-11(19-2)13(21-4)12(10)20-3;/h5-6,9H,7-8H2,1-4H3,(H,15,16);1H/b17-9+;.
What are the key properties of N-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
N-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide has a molecular weight of 373.25 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide is sourced from PubChem (CID 56642895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).