5-(2-bromophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine

C12H14BrN3 — CID 79510094

IUPAC5-(2-bromophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccccc2Br)N1C1CC1
InChIInChI=1S/C12H14BrN3/c13-10-4-2-1-3-9(10)11-7-15-12(14)16(11)8-5-6-8/h1-4,8,11H,5-7H2,(H2,14,15)
InChIKeyMVBIVKDPEOPBPQ-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.28
Rot. Bonds2

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

5-(2-bromophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine (PubChem CID 79510094) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2-bromophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
PubChem CID79510094
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name5-(2-bromophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccccc2Br)N1C1CC1
InChIInChI=1S/C12H14BrN3/c13-10-4-2-1-3-9(10)11-7-15-12(14)16(11)8-5-6-8/h1-4,8,11H,5-7H2,(H2,14,15)
InChIKeyMVBIVKDPEOPBPQ-UHFFFAOYSA-N
XLogP2.28
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2-bromophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine (CID 79510094) is 5-(2-bromophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2-bromophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2-bromophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccccc2Br)N1C1CC1.
What is the InChIKey of 5-(2-bromophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine?
The InChIKey is MVBIVKDPEOPBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c13-10-4-2-1-3-9(10)11-7-15-12(14)16(11)8-5-6-8/h1-4,8,11H,5-7H2,(H2,14,15).
What are the key properties of 5-(2-bromophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine?
5-(2-bromophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine has a molecular weight of 280.17 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79510094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).