N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol

C18H22Cl2N4O2 — CID 53495159

IUPACN-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNC[C@H](O)c1cccc(O)c1.Clc1cccc(Cl)c1NC1=NCCN1
InChIInChI=1S/C9H9Cl2N3.C9H13NO2/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;1-10-6-9(12)7-3-2-4-8(11)5-7/h1-3H,4-5H2,(H2,12,13,14);2-5,9-12H,6H2,1H3/t;9-/m.0/s1
InChIKeyJYAMLUXIAOZMPD-NPULLEENSA-N
MW397.31 g/mol
LogP3.01
Rot. Bonds4

About N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol

N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol (PubChem CID 53495159) has the molecular formula C18H22Cl2N4O2 and a molecular weight of 397.31 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
PubChem CID53495159
Molecular FormulaC18H22Cl2N4O2
Molecular Weight397.31 g/mol
Exact Mass396.11
IUPAC NameN-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
SMILESCNC[C@H](O)c1cccc(O)c1.Clc1cccc(Cl)c1NC1=NCCN1
InChIInChI=1S/C9H9Cl2N3.C9H13NO2/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;1-10-6-9(12)7-3-2-4-8(11)5-7/h1-3H,4-5H2,(H2,12,13,14);2-5,9-12H,6H2,1H3/t;9-/m.0/s1
InChIKeyJYAMLUXIAOZMPD-NPULLEENSA-N
XLogP3.01
TPSA88.91 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 53.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol?
The IUPAC name of N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol (CID 53495159) is N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol?
The canonical SMILES for N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol is CNC[C@H](O)c1cccc(O)c1.Clc1cccc(Cl)c1NC1=NCCN1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol?
The InChIKey is JYAMLUXIAOZMPD-NPULLEENSA-N. The full InChI is InChI=1S/C9H9Cl2N3.C9H13NO2/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;1-10-6-9(12)7-3-2-4-8(11)5-7/h1-3H,4-5H2,(H2,12,13,14);2-5,9-12H,6H2,1H3/t;9-/m.0/s1.
What are the key properties of N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol?
N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol has a molecular weight of 397.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol is sourced from PubChem (CID 53495159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).