(5R)-5-(2-aminoethyl)-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide

C11H15BrCl2N4 — CID 53318221

IUPAC(5R)-5-(2-aminoethyl)-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
SMILESBr.NCC[C@@H]1CN=C(Nc2c(Cl)cccc2Cl)N1
InChIInChI=1S/C11H14Cl2N4.BrH/c12-8-2-1-3-9(13)10(8)17-11-15-6-7(16-11)4-5-14;/h1-3,7H,4-6,14H2,(H2,15,16,17);1H/t7-;/m1./s1
InChIKeyYJACWAKPTDIVOL-OGFXRTJISA-N
MW354.08 g/mol
LogP2.66
Rot. Bonds3

About (5R)-5-(2-aminoethyl)-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide

(5R)-5-(2-aminoethyl)-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide (PubChem CID 53318221) has the molecular formula C11H15BrCl2N4 and a molecular weight of 354.08 g/mol. Its IUPAC name is (5R)-5-(2-aminoethyl)-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide.

Molecular Properties

Compound Name(5R)-5-(2-aminoethyl)-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
PubChem CID53318221
Molecular FormulaC11H15BrCl2N4
Molecular Weight354.08 g/mol
Exact Mass351.99
IUPAC Name(5R)-5-(2-aminoethyl)-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
SMILESBr.NCC[C@@H]1CN=C(Nc2c(Cl)cccc2Cl)N1
InChIInChI=1S/C11H14Cl2N4.BrH/c12-8-2-1-3-9(13)10(8)17-11-15-6-7(16-11)4-5-14;/h1-3,7H,4-6,14H2,(H2,15,16,17);1H/t7-;/m1./s1
InChIKeyYJACWAKPTDIVOL-OGFXRTJISA-N
XLogP2.66
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.08
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-aminoethyl)-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
The IUPAC name of (5R)-5-(2-aminoethyl)-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide (CID 53318221) is (5R)-5-(2-aminoethyl)-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide.
What is the SMILES notation for (5R)-5-(2-aminoethyl)-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
The canonical SMILES for (5R)-5-(2-aminoethyl)-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide is Br.NCC[C@@H]1CN=C(Nc2c(Cl)cccc2Cl)N1.
What is the InChIKey of (5R)-5-(2-aminoethyl)-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
The InChIKey is YJACWAKPTDIVOL-OGFXRTJISA-N. The full InChI is InChI=1S/C11H14Cl2N4.BrH/c12-8-2-1-3-9(13)10(8)17-11-15-6-7(16-11)4-5-14;/h1-3,7H,4-6,14H2,(H2,15,16,17);1H/t7-;/m1./s1.
What are the key properties of (5R)-5-(2-aminoethyl)-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
(5R)-5-(2-aminoethyl)-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide has a molecular weight of 354.08 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-aminoethyl)-N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide is sourced from PubChem (CID 53318221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).