1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine

C12H13Br2N3 — CID 106566372

IUPAC1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1-c1cc(Br)ccc1Br
InChIInChI=1S/C12H13Br2N3/c1-8(2)16-12-15-5-6-17(12)11-7-9(13)3-4-10(11)14/h3-8H,1-2H3,(H,15,16)
InChIKeyTXLODFXTPZVRNC-UHFFFAOYSA-N
MW359.07 g/mol
LogP4.22
Rot. Bonds3

About 1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine

1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine (PubChem CID 106566372) has the molecular formula C12H13Br2N3 and a molecular weight of 359.07 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine
PubChem CID106566372
Molecular FormulaC12H13Br2N3
Molecular Weight359.07 g/mol
Exact Mass356.95
IUPAC Name1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1-c1cc(Br)ccc1Br
InChIInChI=1S/C12H13Br2N3/c1-8(2)16-12-15-5-6-17(12)11-7-9(13)3-4-10(11)14/h3-8H,1-2H3,(H,15,16)
InChIKeyTXLODFXTPZVRNC-UHFFFAOYSA-N
XLogP4.22
TPSA29.85 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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106566399
1-(4-bromo-2-methylphenyl)-N-methylimidazol-2-amine
CID 106556388
1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine
CID 106578943
1-(5-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106562440
1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine
CID 106578937
N-propan-2-yl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556165
1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine
CID 106562851
1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106558572
1-(1,3-dimethylpyrazol-4-yl)-N-propan-2-ylimidazol-2-amine
CID 106583195
1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106556992
1-(4-bromo-2-fluorophenyl)-N-phenylimidazol-2-amine
CID 106556947
N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
CID 106571578

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine (CID 106566372) is 1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine is CC(C)Nc1nccn1-c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine?
The InChIKey is TXLODFXTPZVRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3/c1-8(2)16-12-15-5-6-17(12)11-7-9(13)3-4-10(11)14/h3-8H,1-2H3,(H,15,16).
What are the key properties of 1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine?
1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine has a molecular weight of 359.07 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106566372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).