2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone

C20H20ClN3O — CID 23460040

IUPAC2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN=C1Nc1cccc2c1CCC2
InChIInChI=1S/C20H20ClN3O/c21-17-9-2-1-5-15(17)13-19(25)24-12-11-22-20(24)23-18-10-4-7-14-6-3-8-16(14)18/h1-2,4-5,7,9-10H,3,6,8,11-13H2,(H,22,23)
InChIKeyPASXMIYJVAJNNN-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.68
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone

2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 23460040) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID23460040
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN=C1Nc1cccc2c1CCC2
InChIInChI=1S/C20H20ClN3O/c21-17-9-2-1-5-15(17)13-19(25)24-12-11-22-20(24)23-18-10-4-7-14-6-3-8-16(14)18/h1-2,4-5,7,9-10H,3,6,8,11-13H2,(H,22,23)
InChIKeyPASXMIYJVAJNNN-UHFFFAOYSA-N
XLogP3.68
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone (CID 23460040) is 2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCN=C1Nc1cccc2c1CCC2.
What is the InChIKey of 2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is PASXMIYJVAJNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c21-17-9-2-1-5-15(17)13-19(25)24-12-11-22-20(24)23-18-10-4-7-14-6-3-8-16(14)18/h1-2,4-5,7,9-10H,3,6,8,11-13H2,(H,22,23).
What are the key properties of 2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone?
2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 353.85 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 23460040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).