N-(2,6-dichlorophenyl)-1H-imidazol-2-amine

C9H7Cl2N3 — CID 10489502

IUPACN-(2,6-dichlorophenyl)-1H-imidazol-2-amine
SMILESClc1cccc(Cl)c1Nc1ncc[nH]1
InChIInChI=1S/C9H7Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-5H,(H2,12,13,14)
InChIKeyJMIQFISPBOHMQG-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.46
Rot. Bonds2

About N-(2,6-dichlorophenyl)-1H-imidazol-2-amine

N-(2,6-dichlorophenyl)-1H-imidazol-2-amine (PubChem CID 10489502) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1H-imidazol-2-amine
PubChem CID10489502
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC NameN-(2,6-dichlorophenyl)-1H-imidazol-2-amine
SMILESClc1cccc(Cl)c1Nc1ncc[nH]1
InChIInChI=1S/C9H7Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-5H,(H2,12,13,14)
InChIKeyJMIQFISPBOHMQG-UHFFFAOYSA-N
XLogP3.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1H-imidazol-2-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-1H-imidazol-2-amine (CID 10489502) is N-(2,6-dichlorophenyl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1H-imidazol-2-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-1H-imidazol-2-amine is Clc1cccc(Cl)c1Nc1ncc[nH]1.
What is the InChIKey of N-(2,6-dichlorophenyl)-1H-imidazol-2-amine?
The InChIKey is JMIQFISPBOHMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-5H,(H2,12,13,14).
What are the key properties of N-(2,6-dichlorophenyl)-1H-imidazol-2-amine?
N-(2,6-dichlorophenyl)-1H-imidazol-2-amine has a molecular weight of 228.08 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1H-imidazol-2-amine is sourced from PubChem (CID 10489502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).