1-[3-[2-(cyclohexen-1-yl)ethyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]ethanamine

C19H23Cl2N3 — CID 68711094

IUPAC1-[3-[2-(cyclohexen-1-yl)ethyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1c(-c2ccc(Cl)cc2Cl)ncn1CCC1=CCCCC1
InChIInChI=1S/C19H23Cl2N3/c1-13(22)19-18(16-8-7-15(20)11-17(16)21)23-12-24(19)10-9-14-5-3-2-4-6-14/h5,7-8,11-13H,2-4,6,9-10,22H2,1H3
InChIKeyGMMMRSZOJVBYFT-UHFFFAOYSA-N
MW364.32 g/mol
LogP5.77
Rot. Bonds5

About 1-[3-[2-(cyclohexen-1-yl)ethyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]ethanamine

1-[3-[2-(cyclohexen-1-yl)ethyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]ethanamine (PubChem CID 68711094) has the molecular formula C19H23Cl2N3 and a molecular weight of 364.32 g/mol. Its IUPAC name is 1-[3-[2-(cyclohexen-1-yl)ethyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-[2-(cyclohexen-1-yl)ethyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]ethanamine
PubChem CID68711094
Molecular FormulaC19H23Cl2N3
Molecular Weight364.32 g/mol
Exact Mass363.13
IUPAC Name1-[3-[2-(cyclohexen-1-yl)ethyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1c(-c2ccc(Cl)cc2Cl)ncn1CCC1=CCCCC1
InChIInChI=1S/C19H23Cl2N3/c1-13(22)19-18(16-8-7-15(20)11-17(16)21)23-12-24(19)10-9-14-5-3-2-4-6-14/h5,7-8,11-13H,2-4,6,9-10,22H2,1H3
InChIKeyGMMMRSZOJVBYFT-UHFFFAOYSA-N
XLogP5.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.32
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(cyclohexen-1-yl)ethyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-[2-(cyclohexen-1-yl)ethyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]ethanamine (CID 68711094) is 1-[3-[2-(cyclohexen-1-yl)ethyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-[2-(cyclohexen-1-yl)ethyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-[2-(cyclohexen-1-yl)ethyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]ethanamine is CC(N)c1c(-c2ccc(Cl)cc2Cl)ncn1CCC1=CCCCC1.
What is the InChIKey of 1-[3-[2-(cyclohexen-1-yl)ethyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]ethanamine?
The InChIKey is GMMMRSZOJVBYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3/c1-13(22)19-18(16-8-7-15(20)11-17(16)21)23-12-24(19)10-9-14-5-3-2-4-6-14/h5,7-8,11-13H,2-4,6,9-10,22H2,1H3.
What are the key properties of 1-[3-[2-(cyclohexen-1-yl)ethyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]ethanamine?
1-[3-[2-(cyclohexen-1-yl)ethyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]ethanamine has a molecular weight of 364.32 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(cyclohexen-1-yl)ethyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 68711094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).