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

C10H12BrN3S — CID 79510778

IUPAC5-(5-bromothiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(Br)s2)N1C1CC1
InChIInChI=1S/C10H12BrN3S/c11-9-4-3-8(15-9)7-5-13-10(12)14(7)6-1-2-6/h3-4,6-7H,1-2,5H2,(H2,12,13)
InChIKeyRHOPTLDROKVHLE-UHFFFAOYSA-N
MW286.20 g/mol
LogP2.34
Rot. Bonds2

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

5-(5-bromothiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine (PubChem CID 79510778) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
PubChem CID79510778
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC Name5-(5-bromothiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(Br)s2)N1C1CC1
InChIInChI=1S/C10H12BrN3S/c11-9-4-3-8(15-9)7-5-13-10(12)14(7)6-1-2-6/h3-4,6-7H,1-2,5H2,(H2,12,13)
InChIKeyRHOPTLDROKVHLE-UHFFFAOYSA-N
XLogP2.34
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(5-bromothiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine (CID 79510778) is 5-(5-bromothiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccc(Br)s2)N1C1CC1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine?
The InChIKey is RHOPTLDROKVHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S/c11-9-4-3-8(15-9)7-5-13-10(12)14(7)6-1-2-6/h3-4,6-7H,1-2,5H2,(H2,12,13).
What are the key properties of 5-(5-bromothiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine?
5-(5-bromothiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine has a molecular weight of 286.20 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79510778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).