2-(3,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole

C16H10Cl2N2 — CID 917084

IUPAC2-(3,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole
SMILESClc1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1Cl
InChIInChI=1S/C16H10Cl2N2/c17-13-6-5-10(7-14(13)18)15-9-20-8-11-3-1-2-4-12(11)16(20)19-15/h1-7,9H,8H2
InChIKeyCMRJNXIGRAVTPW-UHFFFAOYSA-N
MW301.18 g/mol
LogP4.89
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole

2-(3,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole (PubChem CID 917084) has the molecular formula C16H10Cl2N2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole
PubChem CID917084
Molecular FormulaC16H10Cl2N2
Molecular Weight301.18 g/mol
Exact Mass300.02
IUPAC Name2-(3,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole
SMILESClc1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1Cl
InChIInChI=1S/C16H10Cl2N2/c17-13-6-5-10(7-14(13)18)15-9-20-8-11-3-1-2-4-12(11)16(20)19-15/h1-7,9H,8H2
InChIKeyCMRJNXIGRAVTPW-UHFFFAOYSA-N
XLogP4.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole?
The IUPAC name of 2-(3,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole (CID 917084) is 2-(3,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole is Clc1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole?
The InChIKey is CMRJNXIGRAVTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2/c17-13-6-5-10(7-14(13)18)15-9-20-8-11-3-1-2-4-12(11)16(20)19-15/h1-7,9H,8H2.
What are the key properties of 2-(3,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole?
2-(3,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole has a molecular weight of 301.18 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5H-imidazo[2,1-a]isoindole is sourced from PubChem (CID 917084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).