1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine

C10H12BrN3S — CID 106575525

IUPAC1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1Cc1ccc(Br)s1
InChIInChI=1S/C10H12BrN3S/c1-7-5-14(10(12-2)13-7)6-8-3-4-9(11)15-8/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyKYZKEKGRENLTJV-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.11
Rot. Bonds3

About 1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine

1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine (PubChem CID 106575525) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine
PubChem CID106575525
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1Cc1ccc(Br)s1
InChIInChI=1S/C10H12BrN3S/c1-7-5-14(10(12-2)13-7)6-8-3-4-9(11)15-8/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyKYZKEKGRENLTJV-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine (CID 106575525) is 1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine is CNc1nc(C)cn1Cc1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine?
The InChIKey is KYZKEKGRENLTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S/c1-7-5-14(10(12-2)13-7)6-8-3-4-9(11)15-8/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine?
1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine has a molecular weight of 286.20 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106575525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).