1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine

C13H16BrN3 — CID 106558572

IUPAC1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)CNc1nccn1-c1ccccc1Br
InChIInChI=1S/C13H16BrN3/c1-10(2)9-16-13-15-7-8-17(13)12-6-4-3-5-11(12)14/h3-8,10H,9H2,1-2H3,(H,15,16)
InChIKeyLPKKSTPWXVIVHV-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.70
Rot. Bonds4

About 1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine

1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106558572) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106558572
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)CNc1nccn1-c1ccccc1Br
InChIInChI=1S/C13H16BrN3/c1-10(2)9-16-13-15-7-8-17(13)12-6-4-3-5-11(12)14/h3-8,10H,9H2,1-2H3,(H,15,16)
InChIKeyLPKKSTPWXVIVHV-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106560588
1-(2-bromophenyl)-N-ethylimidazol-2-amine
CID 106558573
1-(2-fluoro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 114254445
1-(3-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106564075
1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 114250877
1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106559705
N-(2-methylpropyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106575920
1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106554623
1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine
CID 106578943
1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine
CID 106583604
1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine
CID 106579810
N-(2-methylpropyl)-1-(1-phenylpropan-2-yl)imidazol-2-amine
CID 106571877

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine (CID 106558572) is 1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine is CC(C)CNc1nccn1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is LPKKSTPWXVIVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-10(2)9-16-13-15-7-8-17(13)12-6-4-3-5-11(12)14/h3-8,10H,9H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine?
1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 294.20 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106558572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).