5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole chloride

C14H16ClN2- — CID 154730534

IUPAC5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole chloride
SMILESCCC1(c2cnc[nH]2)Cc2ccccc2C1.[Cl-]
InChIInChI=1S/C14H16N2.ClH/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14;/h3-6,9-10H,2,7-8H2,1H3,(H,15,16);1H/p-1
InChIKeyPCCVCJAQMHDWJY-UHFFFAOYSA-M
MW247.75 g/mol
LogP-0.14
Rot. Bonds2

About 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole chloride

5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole chloride (PubChem CID 154730534) has the molecular formula C14H16ClN2- and a molecular weight of 247.75 g/mol. Its IUPAC name is 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole chloride.

Molecular Properties

Compound Name5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole chloride
PubChem CID154730534
Molecular FormulaC14H16ClN2-
Molecular Weight247.75 g/mol
Exact Mass247.10
IUPAC Name5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole chloride
SMILESCCC1(c2cnc[nH]2)Cc2ccccc2C1.[Cl-]
InChIInChI=1S/C14H16N2.ClH/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14;/h3-6,9-10H,2,7-8H2,1H3,(H,15,16);1H/p-1
InChIKeyPCCVCJAQMHDWJY-UHFFFAOYSA-M
XLogP-0.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole chloride?
The IUPAC name of 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole chloride (CID 154730534) is 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole chloride.
What is the SMILES notation for 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole chloride?
The canonical SMILES for 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole chloride is CCC1(c2cnc[nH]2)Cc2ccccc2C1.[Cl-].
What is the InChIKey of 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole chloride?
The InChIKey is PCCVCJAQMHDWJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16N2.ClH/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14;/h3-6,9-10H,2,7-8H2,1H3,(H,15,16);1H/p-1.
What are the key properties of 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole chloride?
5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole chloride has a molecular weight of 247.75 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole chloride is sourced from PubChem (CID 154730534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).