N-[1-(5-bromo-2-methoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine

C12H15BrN4O — CID 911181

IUPACN-[1-(5-bromo-2-methoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESCOc1ccc(Br)cc1C(C)=NNC1=NCCN1
InChIInChI=1S/C12H15BrN4O/c1-8(16-17-12-14-5-6-15-12)10-7-9(13)3-4-11(10)18-2/h3-4,7H,5-6H2,1-2H3,(H2,14,15,17)
InChIKeyWECQZDGNZQWMJJ-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.73
Rot. Bonds3

About N-[1-(5-bromo-2-methoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine

N-[1-(5-bromo-2-methoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 911181) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is N-[1-(5-bromo-2-methoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-methoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID911181
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC NameN-[1-(5-bromo-2-methoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESCOc1ccc(Br)cc1C(C)=NNC1=NCCN1
InChIInChI=1S/C12H15BrN4O/c1-8(16-17-12-14-5-6-15-12)10-7-9(13)3-4-11(10)18-2/h3-4,7H,5-6H2,1-2H3,(H2,14,15,17)
InChIKeyWECQZDGNZQWMJJ-UHFFFAOYSA-N
XLogP1.73
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[1-(5-bromo-2-methoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[1-(5-bromo-2-methoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine (CID 911181) is N-[1-(5-bromo-2-methoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[1-(5-bromo-2-methoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[1-(5-bromo-2-methoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine is COc1ccc(Br)cc1C(C)=NNC1=NCCN1.
What is the InChIKey of N-[1-(5-bromo-2-methoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is WECQZDGNZQWMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-8(16-17-12-14-5-6-15-12)10-7-9(13)3-4-11(10)18-2/h3-4,7H,5-6H2,1-2H3,(H2,14,15,17).
What are the key properties of N-[1-(5-bromo-2-methoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
N-[1-(5-bromo-2-methoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 311.18 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-methoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 911181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).