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

C11H13BrN4 — CID 2797392

IUPACN-[1-(4-bromophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(=NNC1=NCCN1)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN4/c1-8(9-2-4-10(12)5-3-9)15-16-11-13-6-7-14-11/h2-5H,6-7H2,1H3,(H2,13,14,16)
InChIKeyYSTDNHSZSLMXFZ-UHFFFAOYSA-N
MW281.16 g/mol
LogP1.72
Rot. Bonds2

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

N-[1-(4-bromophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 2797392) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID2797392
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC NameN-[1-(4-bromophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(=NNC1=NCCN1)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN4/c1-8(9-2-4-10(12)5-3-9)15-16-11-13-6-7-14-11/h2-5H,6-7H2,1H3,(H2,13,14,16)
InChIKeyYSTDNHSZSLMXFZ-UHFFFAOYSA-N
XLogP1.72
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-bromophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine (CID 2797392) is N-[1-(4-bromophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine is CC(=NNC1=NCCN1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is YSTDNHSZSLMXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-8(9-2-4-10(12)5-3-9)15-16-11-13-6-7-14-11/h2-5H,6-7H2,1H3,(H2,13,14,16).
What are the key properties of N-[1-(4-bromophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
N-[1-(4-bromophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 281.16 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 2797392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).