5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine

C14H17BrClN3 — CID 79520590

IUPAC5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(Cl)ccc2Br)N1C1CCCC1
InChIInChI=1S/C14H17BrClN3/c15-12-6-5-9(16)7-11(12)13-8-18-14(17)19(13)10-3-1-2-4-10/h5-7,10,13H,1-4,8H2,(H2,17,18)
InChIKeyLNKRVYPHJFDJDE-UHFFFAOYSA-N
MW342.67 g/mol
LogP3.72
Rot. Bonds2

About 5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine

5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine (PubChem CID 79520590) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
PubChem CID79520590
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(Cl)ccc2Br)N1C1CCCC1
InChIInChI=1S/C14H17BrClN3/c15-12-6-5-9(16)7-11(12)13-8-18-14(17)19(13)10-3-1-2-4-10/h5-7,10,13H,1-4,8H2,(H2,17,18)
InChIKeyLNKRVYPHJFDJDE-UHFFFAOYSA-N
XLogP3.72
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine (CID 79520590) is 5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine is NC1=NCC(c2cc(Cl)ccc2Br)N1C1CCCC1.
What is the InChIKey of 5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine?
The InChIKey is LNKRVYPHJFDJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c15-12-6-5-9(16)7-11(12)13-8-18-14(17)19(13)10-3-1-2-4-10/h5-7,10,13H,1-4,8H2,(H2,17,18).
What are the key properties of 5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine?
5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine has a molecular weight of 342.67 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79520590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).