N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine

C12H11Br2N3 — CID 107605118

IUPACN-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1Nc1c(Br)cccc1Br
InChIInChI=1S/C12H11Br2N3/c1-2-7-17-8-6-15-12(17)16-11-9(13)4-3-5-10(11)14/h2-6,8H,1,7H2,(H,15,16)
InChIKeyGUFMOHJISSTCQV-UHFFFAOYSA-N
MW357.05 g/mol
LogP4.34
Rot. Bonds4

About N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine

N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine (PubChem CID 107605118) has the molecular formula C12H11Br2N3 and a molecular weight of 357.05 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine
PubChem CID107605118
Molecular FormulaC12H11Br2N3
Molecular Weight357.05 g/mol
Exact Mass354.93
IUPAC NameN-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1Nc1c(Br)cccc1Br
InChIInChI=1S/C12H11Br2N3/c1-2-7-17-8-6-15-12(17)16-11-9(13)4-3-5-10(11)14/h2-6,8H,1,7H2,(H,15,16)
InChIKeyGUFMOHJISSTCQV-UHFFFAOYSA-N
XLogP4.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-1-prop-2-enylimidazol-2-amine
CID 114002343
N-(3-iodophenyl)-1-prop-2-enylimidazol-2-amine
CID 106554216
N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine
CID 106554163
N-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide
CID 106554496
N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine
CID 107605154
1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570738
N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine
CID 106571364
1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554400
1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine
CID 106583191
1-cyclopentyl-N-(2,6-dibromophenyl)imidazol-2-amine
CID 107605114
1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562002
1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 106570549

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine (CID 107605118) is N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine is C=CCn1ccnc1Nc1c(Br)cccc1Br.
What is the InChIKey of N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine?
The InChIKey is GUFMOHJISSTCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3/c1-2-7-17-8-6-15-12(17)16-11-9(13)4-3-5-10(11)14/h2-6,8H,1,7H2,(H,15,16).
What are the key properties of N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine?
N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine has a molecular weight of 357.05 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 107605118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).