N-(2,6-dibromophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine

C12H13Br2N3 — CID 10021350

IUPACN-(2,6-dibromophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CCN(C1=NCCN1)c1c(Br)cccc1Br
InChIInChI=1S/C12H13Br2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h2-5H,1,6-8H2,(H,15,16)
InChIKeyFOEDZLPEXQVCIO-UHFFFAOYSA-N
MW359.07 g/mol
LogP3.16
Rot. Bonds3

About N-(2,6-dibromophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine

N-(2,6-dibromophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 10021350) has the molecular formula C12H13Br2N3 and a molecular weight of 359.07 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID10021350
Molecular FormulaC12H13Br2N3
Molecular Weight359.07 g/mol
Exact Mass356.95
IUPAC NameN-(2,6-dibromophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CCN(C1=NCCN1)c1c(Br)cccc1Br
InChIInChI=1S/C12H13Br2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h2-5H,1,6-8H2,(H,15,16)
InChIKeyFOEDZLPEXQVCIO-UHFFFAOYSA-N
XLogP3.16
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.07
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2,6-dibromophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine (CID 10021350) is N-(2,6-dibromophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2,6-dibromophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2,6-dibromophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine is C=CCN(C1=NCCN1)c1c(Br)cccc1Br.
What is the InChIKey of N-(2,6-dibromophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is FOEDZLPEXQVCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3/c1-2-8-17(12-15-6-7-16-12)11-9(13)4-3-5-10(11)14/h2-5H,1,6-8H2,(H,15,16).
What are the key properties of N-(2,6-dibromophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
N-(2,6-dibromophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 359.07 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 10021350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).