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

C11H15Cl2N3O — CID 122517146

IUPACN-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol
SMILESCCO.Clc1cccc(Cl)c1NC1=NCCN1
InChIInChI=1S/C9H9Cl2N3.C2H6O/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;1-2-3/h1-3H,4-5H2,(H2,12,13,14);3H,2H2,1H3
InChIKeyFMKPELCPHMBZEO-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.36
Rot. Bonds1

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

N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol (PubChem CID 122517146) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol
PubChem CID122517146
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC NameN-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol
SMILESCCO.Clc1cccc(Cl)c1NC1=NCCN1
InChIInChI=1S/C9H9Cl2N3.C2H6O/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;1-2-3/h1-3H,4-5H2,(H2,12,13,14);3H,2H2,1H3
InChIKeyFMKPELCPHMBZEO-UHFFFAOYSA-N
XLogP2.36
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol?
The IUPAC name of N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol (CID 122517146) is N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol?
The canonical SMILES for N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol is CCO.Clc1cccc(Cl)c1NC1=NCCN1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol?
The InChIKey is FMKPELCPHMBZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3.C2H6O/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;1-2-3/h1-3H,4-5H2,(H2,12,13,14);3H,2H2,1H3.
What are the key properties of N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol?
N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol has a molecular weight of 276.17 g/mol, XLogP of 2.36, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;ethanol is sourced from PubChem (CID 122517146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).