1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine

C12H16BrN3S — CID 106577763

IUPAC1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)CNc1nccn1Cc1sccc1Br
InChIInChI=1S/C12H16BrN3S/c1-9(2)7-15-12-14-4-5-16(12)8-11-10(13)3-6-17-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyYITJNUYQVJBKEJ-UHFFFAOYSA-N
MW314.25 g/mol
LogP3.82
Rot. Bonds5

About 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine

1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106577763) has the molecular formula C12H16BrN3S and a molecular weight of 314.25 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106577763
Molecular FormulaC12H16BrN3S
Molecular Weight314.25 g/mol
Exact Mass313.02
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)CNc1nccn1Cc1sccc1Br
InChIInChI=1S/C12H16BrN3S/c1-9(2)7-15-12-14-4-5-16(12)8-11-10(13)3-6-17-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyYITJNUYQVJBKEJ-UHFFFAOYSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)imidazol-2-amine
CID 106577759
1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine
CID 63095648
N-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
CID 106577983
1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106575432
[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol
CID 62222283
1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]butan-2-amine
CID 55181842
N-(2-methylpropyl)-1-(quinolin-8-ylmethyl)imidazol-2-amine
CID 106577448
1-(2,2-dimethylbutyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106583506
1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106558572
N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
CID 106578003
N-[[1-[(3-bromothiophen-2-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66193266
N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579152

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine (CID 106577763) is 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine is CC(C)CNc1nccn1Cc1sccc1Br.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is YITJNUYQVJBKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3S/c1-9(2)7-15-12-14-4-5-16(12)8-11-10(13)3-6-17-11/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine?
1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 314.25 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106577763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).