N-(2-bromo-6-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

C9H10BrCl2N3 — CID 90678843

IUPACN-(2-bromo-6-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.Clc1cccc(Br)c1NC1=NCCN1
InChIInChI=1S/C9H9BrClN3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H
InChIKeyBMMCJVUOSITUBN-UHFFFAOYSA-N
MW311.01 g/mol
LogP2.90
Rot. Bonds1

About N-(2-bromo-6-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

N-(2-bromo-6-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 90678843) has the molecular formula C9H10BrCl2N3 and a molecular weight of 311.01 g/mol. Its IUPAC name is N-(2-bromo-6-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-bromo-6-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID90678843
Molecular FormulaC9H10BrCl2N3
Molecular Weight311.01 g/mol
Exact Mass308.94
IUPAC NameN-(2-bromo-6-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.Clc1cccc(Br)c1NC1=NCCN1
InChIInChI=1S/C9H9BrClN3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H
InChIKeyBMMCJVUOSITUBN-UHFFFAOYSA-N
XLogP2.90
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.01
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-(2-bromo-6-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 90678843) is N-(2-bromo-6-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-(2-bromo-6-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-(2-bromo-6-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is Cl.Clc1cccc(Br)c1NC1=NCCN1.
What is the InChIKey of N-(2-bromo-6-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The InChIKey is BMMCJVUOSITUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H.
What are the key properties of N-(2-bromo-6-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
N-(2-bromo-6-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride has a molecular weight of 311.01 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 90678843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).