N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine

C9H10Cl2N3+ — CID 5233032

IUPACN-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine
SMILESClc1cccc(Cl)c1NC1=[NH+]CCN1
InChIInChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)/p+1
InChIKeyGJSURZIOUXUGAL-UHFFFAOYSA-O
MW231.11 g/mol
LogP0.45
Rot. Bonds1

About N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine

N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine (PubChem CID 5233032) has the molecular formula C9H10Cl2N3+ and a molecular weight of 231.11 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine
PubChem CID5233032
Molecular FormulaC9H10Cl2N3+
Molecular Weight231.11 g/mol
Exact Mass230.02
IUPAC NameN-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine
SMILESClc1cccc(Cl)c1NC1=[NH+]CCN1
InChIInChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)/p+1
InChIKeyGJSURZIOUXUGAL-UHFFFAOYSA-O
XLogP0.45
TPSA38.03 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine (CID 5233032) is N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine is Clc1cccc(Cl)c1NC1=[NH+]CCN1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine?
The InChIKey is GJSURZIOUXUGAL-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)/p+1.
What are the key properties of N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine?
N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine has a molecular weight of 231.11 g/mol, XLogP of 0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine is sourced from PubChem (CID 5233032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).