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

C13H17BrN4O — CID 911359

IUPACN-[1-(5-bromo-2-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESCCOc1ccc(Br)cc1C(C)=NNC1=NCCN1
InChIInChI=1S/C13H17BrN4O/c1-3-19-12-5-4-10(14)8-11(12)9(2)17-18-13-15-6-7-16-13/h4-5,8H,3,6-7H2,1-2H3,(H2,15,16,18)
InChIKeyBJBBLXXEJYVLNN-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.12
Rot. Bonds4

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

N-[1-(5-bromo-2-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 911359) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[1-(5-bromo-2-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID911359
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC NameN-[1-(5-bromo-2-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESCCOc1ccc(Br)cc1C(C)=NNC1=NCCN1
InChIInChI=1S/C13H17BrN4O/c1-3-19-12-5-4-10(14)8-11(12)9(2)17-18-13-15-6-7-16-13/h4-5,8H,3,6-7H2,1-2H3,(H2,15,16,18)
InChIKeyBJBBLXXEJYVLNN-UHFFFAOYSA-N
XLogP2.12
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.12
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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Related Compounds

Benzaldehyde, 5-bromo-2-[(4-chlorophenyl)methoxy]-, (4,5-dihydro-1H-imidazol-2-yl)hydrazone
CID 16728647
N-[1-(5-Bromo-2-pentyloxy-phenyl)-ethylidene]-N'-(4,5-dihydro-1H-imidazol-2-yl)-hydrazine
CID 9591709
N-[1-(5-Bromo-2-butoxy-phenyl)-ethylidene]-N'-(4,5-dihydro-1H-imidazol-2-yl)-hydrazine
CID 44246753
N-(4,5-Dihydro-1H-imidazol-2-yl)-N'-[1-(4-pentyloxy-phenyl)-ethylidene]-hydrazine
CID 9566893
N-(4,5-Dihydro-1H-imidazol-2-yl)-N'-[1-(4-hexyloxy-phenyl)-ethylidene]-hydrazine
CID 9590747
N-[1-(5-Bromo-2-methoxy-phenyl)-eth-(E)-ylidene]-N'-(4,5-dihydro-1H-imidazol-2-yl)-hydrazine
CID 44667314
N-[1-(5-Bromo-2-ethoxy-phenyl)-eth-(Z)-ylidene]-N'-(4,5-dihydro-1H-imidazol-2-yl)-hydrazine
CID 44667404
Benzaldehyde, 5-bromo-2-[(4-chlorophenyl)methoxy]-, (4,5-dihydro-1H-imidazol-2-yl)methylhydrazone
CID 16728648
N-[(Z)-1-(5-bromo-2-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 5417909
1-(5-bromo-2-butoxyphenyl)ethanone 4,5-dihydro-1H-imidazol-2-ylhydrazone
CID 9566890
2-{(2E)-2-[1-(5-bromo-2-methoxyphenyl)ethylidene]hydrazinyl}-4,5-dihydro-1H-imidazole
CID 9616388
N-[1-(5-bromo-2-methoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 911181

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[1-(5-bromo-2-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine (CID 911359) is N-[1-(5-bromo-2-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[1-(5-bromo-2-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[1-(5-bromo-2-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine is CCOc1ccc(Br)cc1C(C)=NNC1=NCCN1.
What is the InChIKey of N-[1-(5-bromo-2-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is BJBBLXXEJYVLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-3-19-12-5-4-10(14)8-11(12)9(2)17-18-13-15-6-7-16-13/h4-5,8H,3,6-7H2,1-2H3,(H2,15,16,18).
What are the key properties of N-[1-(5-bromo-2-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
N-[1-(5-bromo-2-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 325.21 g/mol, XLogP of 2.12, 4 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-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 911359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).