5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine

C11H14BrN3S — CID 102845758

IUPAC5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
SMILESCc1sc(C2CN=C(N)N2C2CC2)cc1Br
InChIInChI=1S/C11H14BrN3S/c1-6-8(12)4-10(16-6)9-5-14-11(13)15(9)7-2-3-7/h4,7,9H,2-3,5H2,1H3,(H2,13,14)
InChIKeyZGEXOODANQVBAV-UHFFFAOYSA-N
MW300.23 g/mol
LogP2.65
Rot. Bonds2

About 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine

5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine (PubChem CID 102845758) has the molecular formula C11H14BrN3S and a molecular weight of 300.23 g/mol. Its IUPAC name is 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
PubChem CID102845758
Molecular FormulaC11H14BrN3S
Molecular Weight300.23 g/mol
Exact Mass299.01
IUPAC Name5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
SMILESCc1sc(C2CN=C(N)N2C2CC2)cc1Br
InChIInChI=1S/C11H14BrN3S/c1-6-8(12)4-10(16-6)9-5-14-11(13)15(9)7-2-3-7/h4,7,9H,2-3,5H2,1H3,(H2,13,14)
InChIKeyZGEXOODANQVBAV-UHFFFAOYSA-N
XLogP2.65
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
CID 102845819
5-(5-bromothiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
CID 79510778
5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine
CID 102845787
5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 102845779
1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
CID 102845826
5-(2-bromophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
CID 79510094
5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine
CID 79497674
1-cyclopropyl-5-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79509098
5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
CID 79510435
5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
CID 79520590
1-cyclopropyl-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine
CID 79510301
3-bromo-5-cyclohexyl-2-methylthiophene
CID 102297438

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine (CID 102845758) is 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine is Cc1sc(C2CN=C(N)N2C2CC2)cc1Br.
What is the InChIKey of 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine?
The InChIKey is ZGEXOODANQVBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c1-6-8(12)4-10(16-6)9-5-14-11(13)15(9)7-2-3-7/h4,7,9H,2-3,5H2,1H3,(H2,13,14).
What are the key properties of 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine?
5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine has a molecular weight of 300.23 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 102845758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).