N-[(1R)-1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine

C11H11Cl2N3 — CID 67183267

IUPACN-[(1R)-1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine
SMILESC[C@@H](Nc1ncc[nH]1)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2N3/c1-7(16-11-14-5-6-15-11)8-3-2-4-9(12)10(8)13/h2-7H,1H3,(H2,14,15,16)/t7-/m1/s1
InChIKeyDGWADLLNWDSOJW-SSDOTTSWSA-N
MW256.14 g/mol
LogP3.89
Rot. Bonds3

About N-[(1R)-1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine

N-[(1R)-1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine (PubChem CID 67183267) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine
PubChem CID67183267
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-[(1R)-1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine
SMILESC[C@@H](Nc1ncc[nH]1)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2N3/c1-7(16-11-14-5-6-15-11)8-3-2-4-9(12)10(8)13/h2-7H,1H3,(H2,14,15,16)/t7-/m1/s1
InChIKeyDGWADLLNWDSOJW-SSDOTTSWSA-N
XLogP3.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine?
The IUPAC name of N-[(1R)-1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine (CID 67183267) is N-[(1R)-1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine.
What is the SMILES notation for N-[(1R)-1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine?
The canonical SMILES for N-[(1R)-1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine is C[C@@H](Nc1ncc[nH]1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(1R)-1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine?
The InChIKey is DGWADLLNWDSOJW-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-7(16-11-14-5-6-15-11)8-3-2-4-9(12)10(8)13/h2-7H,1H3,(H2,14,15,16)/t7-/m1/s1.
What are the key properties of N-[(1R)-1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine?
N-[(1R)-1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine has a molecular weight of 256.14 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine is sourced from PubChem (CID 67183267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).