2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2-methyl-3H-indole;hydrochloride

C14H20ClN3 — CID 14064731

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2-methyl-3H-indole;hydrochloride
SMILESCCN1c2ccccc2CC1(C)C1=NCCN1.Cl
InChIInChI=1S/C14H19N3.ClH/c1-3-17-12-7-5-4-6-11(12)10-14(17,2)13-15-8-9-16-13;/h4-7H,3,8-10H2,1-2H3,(H,15,16);1H
InChIKeyAZWUZKXYEZTSJI-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.25
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2-methyl-3H-indole;hydrochloride

2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2-methyl-3H-indole;hydrochloride (PubChem CID 14064731) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2-methyl-3H-indole;hydrochloride.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2-methyl-3H-indole;hydrochloride
PubChem CID14064731
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2-methyl-3H-indole;hydrochloride
SMILESCCN1c2ccccc2CC1(C)C1=NCCN1.Cl
InChIInChI=1S/C14H19N3.ClH/c1-3-17-12-7-5-4-6-11(12)10-14(17,2)13-15-8-9-16-13;/h4-7H,3,8-10H2,1-2H3,(H,15,16);1H
InChIKeyAZWUZKXYEZTSJI-UHFFFAOYSA-N
XLogP2.25
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2-methyl-3H-indole;hydrochloride?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2-methyl-3H-indole;hydrochloride (CID 14064731) is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2-methyl-3H-indole;hydrochloride.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2-methyl-3H-indole;hydrochloride?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2-methyl-3H-indole;hydrochloride is CCN1c2ccccc2CC1(C)C1=NCCN1.Cl.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2-methyl-3H-indole;hydrochloride?
The InChIKey is AZWUZKXYEZTSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.ClH/c1-3-17-12-7-5-4-6-11(12)10-14(17,2)13-15-8-9-16-13;/h4-7H,3,8-10H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2-methyl-3H-indole;hydrochloride?
2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2-methyl-3H-indole;hydrochloride has a molecular weight of 265.79 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2-methyl-3H-indole;hydrochloride is sourced from PubChem (CID 14064731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).