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

C11H16Br2N4 — CID 53320867

IUPAC(5S)-5-(2-aminoethyl)-N-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
SMILESBr.NCC[C@H]1CN=C(Nc2ccccc2Br)N1
InChIInChI=1S/C11H15BrN4.BrH/c12-9-3-1-2-4-10(9)16-11-14-7-8(15-11)5-6-13;/h1-4,8H,5-7,13H2,(H2,14,15,16);1H/t8-;/m0./s1
InChIKeyYTVJSRPAFSRQRL-QRPNPIFTSA-N
MW364.09 g/mol
LogP2.12
Rot. Bonds3

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

(5S)-5-(2-aminoethyl)-N-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide (PubChem CID 53320867) has the molecular formula C11H16Br2N4 and a molecular weight of 364.09 g/mol. Its IUPAC name is (5S)-5-(2-aminoethyl)-N-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide.

Molecular Properties

Compound Name(5S)-5-(2-aminoethyl)-N-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
PubChem CID53320867
Molecular FormulaC11H16Br2N4
Molecular Weight364.09 g/mol
Exact Mass361.97
IUPAC Name(5S)-5-(2-aminoethyl)-N-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
SMILESBr.NCC[C@H]1CN=C(Nc2ccccc2Br)N1
InChIInChI=1S/C11H15BrN4.BrH/c12-9-3-1-2-4-10(9)16-11-14-7-8(15-11)5-6-13;/h1-4,8H,5-7,13H2,(H2,14,15,16);1H/t8-;/m0./s1
InChIKeyYTVJSRPAFSRQRL-QRPNPIFTSA-N
XLogP2.12
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.09
LogP ≤ 52.12
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-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
The IUPAC name of (5S)-5-(2-aminoethyl)-N-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide (CID 53320867) is (5S)-5-(2-aminoethyl)-N-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide.
What is the SMILES notation for (5S)-5-(2-aminoethyl)-N-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
The canonical SMILES for (5S)-5-(2-aminoethyl)-N-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide is Br.NCC[C@H]1CN=C(Nc2ccccc2Br)N1.
What is the InChIKey of (5S)-5-(2-aminoethyl)-N-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
The InChIKey is YTVJSRPAFSRQRL-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H15BrN4.BrH/c12-9-3-1-2-4-10(9)16-11-14-7-8(15-11)5-6-13;/h1-4,8H,5-7,13H2,(H2,14,15,16);1H/t8-;/m0./s1.
What are the key properties of (5S)-5-(2-aminoethyl)-N-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide?
(5S)-5-(2-aminoethyl)-N-(2-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide has a molecular weight of 364.09 g/mol, XLogP of 2.12, 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-bromophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide is sourced from PubChem (CID 53320867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).