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

C11H14BrN3OS — CID 106577759

IUPAC1-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCNc1nccn1Cc1sccc1Br
InChIInChI=1S/C11H14BrN3OS/c1-16-6-4-14-11-13-3-5-15(11)8-10-9(12)2-7-17-10/h2-3,5,7H,4,6,8H2,1H3,(H,13,14)
InChIKeyITFSACPFHJQIRC-UHFFFAOYSA-N
MW316.22 g/mol
LogP2.81
Rot. Bonds6

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

1-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)imidazol-2-amine (PubChem CID 106577759) has the molecular formula C11H14BrN3OS and a molecular weight of 316.22 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)imidazol-2-amine
PubChem CID106577759
Molecular FormulaC11H14BrN3OS
Molecular Weight316.22 g/mol
Exact Mass315.00
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCNc1nccn1Cc1sccc1Br
InChIInChI=1S/C11H14BrN3OS/c1-16-6-4-14-11-13-3-5-15(11)8-10-9(12)2-7-17-10/h2-3,5,7H,4,6,8H2,1H3,(H,13,14)
InChIKeyITFSACPFHJQIRC-UHFFFAOYSA-N
XLogP2.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-bromothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106577763
N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
CID 106578003
N-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
CID 106577983
[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]methanol
CID 62222283
1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]propan-2-amine
CID 63095648
1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106583274
N-(3-methoxypropyl)-1-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563262
1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine
CID 106556060
N-(3-methoxypropyl)-1-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559088
1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106570134
N-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine
CID 106577051
N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576813

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)imidazol-2-amine (CID 106577759) is 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)imidazol-2-amine is COCCNc1nccn1Cc1sccc1Br.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is ITFSACPFHJQIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3OS/c1-16-6-4-14-11-13-3-5-15(11)8-10-9(12)2-7-17-10/h2-3,5,7H,4,6,8H2,1H3,(H,13,14).
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)imidazol-2-amine?
1-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)imidazol-2-amine has a molecular weight of 316.22 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 106577759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).