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

C11H15BrCl2N4 — CID 53323537

IUPAC(5S)-5-(2-aminoethyl)-N-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
SMILESBr.NCC[C@H]1CN=C(Nc2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C11H14Cl2N4.BrH/c12-7-1-2-10(9(13)5-7)17-11-15-6-8(16-11)3-4-14;/h1-2,5,8H,3-4,6,14H2,(H2,15,16,17);1H/t8-;/m0./s1
InChIKeySPIPNYXEBQQZBL-QRPNPIFTSA-N
MW354.08 g/mol
LogP2.66
Rot. Bonds3

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

(5S)-5-(2-aminoethyl)-N-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide (PubChem CID 53323537) has the molecular formula C11H15BrCl2N4 and a molecular weight of 354.08 g/mol. Its IUPAC name is (5S)-5-(2-aminoethyl)-N-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide.

Molecular Properties

Compound Name(5S)-5-(2-aminoethyl)-N-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
PubChem CID53323537
Molecular FormulaC11H15BrCl2N4
Molecular Weight354.08 g/mol
Exact Mass351.99
IUPAC Name(5S)-5-(2-aminoethyl)-N-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
SMILESBr.NCC[C@H]1CN=C(Nc2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C11H14Cl2N4.BrH/c12-7-1-2-10(9(13)5-7)17-11-15-6-8(16-11)3-4-14;/h1-2,5,8H,3-4,6,14H2,(H2,15,16,17);1H/t8-;/m0./s1
InChIKeySPIPNYXEBQQZBL-QRPNPIFTSA-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 (5S)-5-(2-aminoethyl)-N-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
The IUPAC name of (5S)-5-(2-aminoethyl)-N-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide (CID 53323537) is (5S)-5-(2-aminoethyl)-N-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide.
What is the SMILES notation for (5S)-5-(2-aminoethyl)-N-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
The canonical SMILES for (5S)-5-(2-aminoethyl)-N-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide is Br.NCC[C@H]1CN=C(Nc2ccc(Cl)cc2Cl)N1.
What is the InChIKey of (5S)-5-(2-aminoethyl)-N-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
The InChIKey is SPIPNYXEBQQZBL-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H14Cl2N4.BrH/c12-7-1-2-10(9(13)5-7)17-11-15-6-8(16-11)3-4-14;/h1-2,5,8H,3-4,6,14H2,(H2,15,16,17);1H/t8-;/m0./s1.
What are the key properties of (5S)-5-(2-aminoethyl)-N-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
(5S)-5-(2-aminoethyl)-N-(2,4-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 (5S)-5-(2-aminoethyl)-N-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide is sourced from PubChem (CID 53323537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).