1-(3-chlorophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone

C18H13ClN2O — CID 70874852

IUPAC1-(3-chlorophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
SMILESO=C(CC1c2ccccc2-c2cncn21)c1cccc(Cl)c1
InChIInChI=1S/C18H13ClN2O/c19-13-5-3-4-12(8-13)18(22)9-16-14-6-1-2-7-15(14)17-10-20-11-21(16)17/h1-8,10-11,16H,9H2
InChIKeyVVIHJLDHSORWDP-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.38
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone

1-(3-chlorophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone (PubChem CID 70874852) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
PubChem CID70874852
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name1-(3-chlorophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
SMILESO=C(CC1c2ccccc2-c2cncn21)c1cccc(Cl)c1
InChIInChI=1S/C18H13ClN2O/c19-13-5-3-4-12(8-13)18(22)9-16-14-6-1-2-7-15(14)17-10-20-11-21(16)17/h1-8,10-11,16H,9H2
InChIKeyVVIHJLDHSORWDP-UHFFFAOYSA-N
XLogP4.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-Chloro-4-(2-ethyl-3-pentan-2-ylimidazo[4,5-b]pyridin-7-yl)phenyl]ethanone
CID 44458832
(4-chlorophenyl)[1-methyl-5-(1-methyl-1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]methanone
CID 665250
3-(4-Chloro-phenyl)-1-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005783
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanone
CID 66558380
1-cyclohexyl-2-[6-fluoro-5H-imidazo[4,3-a]isoindol-5-yl]ethan-1-one
CID 70874768
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 70914178
1-[2-(4-Cyclohexylphenyl)-2-oxoethyl]-3-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 1399321
1-[2-(4-Tert-butylphenyl)-2-oxoethyl]-3-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 1416715
3-(4-Chlorophenyl)-1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 1986965
1-[2-(4-Ethylphenyl)-2-oxoethyl]-3-(4-methylphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 2004305
1-[5-Chloro-2-(2-ethyl-3-pentan-2-ylimidazo[4,5-b]pyridin-7-yl)phenyl]ethanone
CID 44458883
[2-Amino-4-(2-chlorophenyl)imidazol-1-yl]-(3-chlorophenyl)methanone
CID 168277716

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone (CID 70874852) is 1-(3-chlorophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone is O=C(CC1c2ccccc2-c2cncn21)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone?
The InChIKey is VVIHJLDHSORWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-13-5-3-4-12(8-13)18(22)9-16-14-6-1-2-7-15(14)17-10-20-11-21(16)17/h1-8,10-11,16H,9H2.
What are the key properties of 1-(3-chlorophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone?
1-(3-chlorophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone has a molecular weight of 308.77 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone is sourced from PubChem (CID 70874852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).