1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine

C11H11Cl2N3 — CID 82463550

IUPAC1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine
SMILESCC(N)c1cnc(-c2ccc(Cl)cc2Cl)[nH]1
InChIInChI=1S/C11H11Cl2N3/c1-6(14)10-5-15-11(16-10)8-3-2-7(12)4-9(8)13/h2-6H,14H2,1H3,(H,15,16)
InChIKeyJYVQFKMQCRCYHA-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.40
Rot. Bonds2

About 1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine

1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 82463550) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine
PubChem CID82463550
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine
SMILESCC(N)c1cnc(-c2ccc(Cl)cc2Cl)[nH]1
InChIInChI=1S/C11H11Cl2N3/c1-6(14)10-5-15-11(16-10)8-3-2-7(12)4-9(8)13/h2-6H,14H2,1H3,(H,15,16)
InChIKeyJYVQFKMQCRCYHA-UHFFFAOYSA-N
XLogP3.40
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine (CID 82463550) is 1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine is CC(N)c1cnc(-c2ccc(Cl)cc2Cl)[nH]1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is JYVQFKMQCRCYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-6(14)10-5-15-11(16-10)8-3-2-7(12)4-9(8)13/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of 1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine?
1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 256.14 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 82463550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).