6-chloro-2-ethyl-2-(1H-imidazol-5-yl)-3H-inden-1-one

C14H13ClN2O — CID 18982993

IUPAC6-chloro-2-ethyl-2-(1H-imidazol-5-yl)-3H-inden-1-one
SMILESCCC1(c2cnc[nH]2)Cc2ccc(Cl)cc2C1=O
InChIInChI=1S/C14H13ClN2O/c1-2-14(12-7-16-8-17-12)6-9-3-4-10(15)5-11(9)13(14)18/h3-5,7-8H,2,6H2,1H3,(H,16,17)
InChIKeyVFKVBVAOMOVJIC-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.15
Rot. Bonds2

About 6-chloro-2-ethyl-2-(1H-imidazol-5-yl)-3H-inden-1-one

6-chloro-2-ethyl-2-(1H-imidazol-5-yl)-3H-inden-1-one (PubChem CID 18982993) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 6-chloro-2-ethyl-2-(1H-imidazol-5-yl)-3H-inden-1-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-2-(1H-imidazol-5-yl)-3H-inden-1-one
PubChem CID18982993
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name6-chloro-2-ethyl-2-(1H-imidazol-5-yl)-3H-inden-1-one
SMILESCCC1(c2cnc[nH]2)Cc2ccc(Cl)cc2C1=O
InChIInChI=1S/C14H13ClN2O/c1-2-14(12-7-16-8-17-12)6-9-3-4-10(15)5-11(9)13(14)18/h3-5,7-8H,2,6H2,1H3,(H,16,17)
InChIKeyVFKVBVAOMOVJIC-UHFFFAOYSA-N
XLogP3.15
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-2-(1H-imidazol-5-yl)-3H-inden-1-one?
The IUPAC name of 6-chloro-2-ethyl-2-(1H-imidazol-5-yl)-3H-inden-1-one (CID 18982993) is 6-chloro-2-ethyl-2-(1H-imidazol-5-yl)-3H-inden-1-one.
What is the SMILES notation for 6-chloro-2-ethyl-2-(1H-imidazol-5-yl)-3H-inden-1-one?
The canonical SMILES for 6-chloro-2-ethyl-2-(1H-imidazol-5-yl)-3H-inden-1-one is CCC1(c2cnc[nH]2)Cc2ccc(Cl)cc2C1=O.
What is the InChIKey of 6-chloro-2-ethyl-2-(1H-imidazol-5-yl)-3H-inden-1-one?
The InChIKey is VFKVBVAOMOVJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-2-14(12-7-16-8-17-12)6-9-3-4-10(15)5-11(9)13(14)18/h3-5,7-8H,2,6H2,1H3,(H,16,17).
What are the key properties of 6-chloro-2-ethyl-2-(1H-imidazol-5-yl)-3H-inden-1-one?
6-chloro-2-ethyl-2-(1H-imidazol-5-yl)-3H-inden-1-one has a molecular weight of 260.72 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-2-(1H-imidazol-5-yl)-3H-inden-1-one is sourced from PubChem (CID 18982993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).