N-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine

C10H12BrN3S — CID 106577745

IUPACN-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine
SMILESCc1cn(C)c(NCc2sccc2Br)n1
InChIInChI=1S/C10H12BrN3S/c1-7-6-14(2)10(13-7)12-5-9-8(11)3-4-15-9/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyKGMXULNHPSHUHO-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.16
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine

N-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine (PubChem CID 106577745) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine
PubChem CID106577745
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine
SMILESCc1cn(C)c(NCc2sccc2Br)n1
InChIInChI=1S/C10H12BrN3S/c1-7-6-14(2)10(13-7)12-5-9-8(11)3-4-15-9/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyKGMXULNHPSHUHO-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-1-cyclopropyl-4-methylimidazol-2-amine
CID 106577750
N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,4-triazol-3-amine
CID 86801647
4-N-[(3-bromothiophen-2-yl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80851890
5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 115380202
2-[(3-bromothiophen-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424900
N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114476013
4-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
CID 106577993
N-[(3-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 104739552
1,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571807
N-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine
CID 114051280
2-bromo-N-[(3-bromothiophen-2-yl)methyl]-4-methylaniline
CID 63490139
N-[(3-bromothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 115379859

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine (CID 106577745) is N-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine is Cc1cn(C)c(NCc2sccc2Br)n1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine?
The InChIKey is KGMXULNHPSHUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S/c1-7-6-14(2)10(13-7)12-5-9-8(11)3-4-15-9/h3-4,6H,5H2,1-2H3,(H,12,13).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine?
N-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine has a molecular weight of 286.20 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106577745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).