2-(4-chlorophenyl)-3-methyl-5H-imidazo[2,1-a]isoindole bromide

C17H13BrClN2- — CID 21239832

IUPAC2-(4-chlorophenyl)-3-methyl-5H-imidazo[2,1-a]isoindole bromide
SMILESCc1c(-c2ccc(Cl)cc2)nc2n1Cc1ccccc1-2.[Br-]
InChIInChI=1S/C17H13ClN2.BrH/c1-11-16(12-6-8-14(18)9-7-12)19-17-15-5-3-2-4-13(15)10-20(11)17;/h2-9H,10H2,1H3;1H/p-1
InChIKeyKSIUKUVHBDKQEM-UHFFFAOYSA-M
MW360.66 g/mol
LogP1.54
Rot. Bonds1

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

2-(4-chlorophenyl)-3-methyl-5H-imidazo[2,1-a]isoindole bromide (PubChem CID 21239832) has the molecular formula C17H13BrClN2- and a molecular weight of 360.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methyl-5H-imidazo[2,1-a]isoindole bromide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methyl-5H-imidazo[2,1-a]isoindole bromide
PubChem CID21239832
Molecular FormulaC17H13BrClN2-
Molecular Weight360.66 g/mol
Exact Mass359.00
IUPAC Name2-(4-chlorophenyl)-3-methyl-5H-imidazo[2,1-a]isoindole bromide
SMILESCc1c(-c2ccc(Cl)cc2)nc2n1Cc1ccccc1-2.[Br-]
InChIInChI=1S/C17H13ClN2.BrH/c1-11-16(12-6-8-14(18)9-7-12)19-17-15-5-3-2-4-13(15)10-20(11)17;/h2-9H,10H2,1H3;1H/p-1
InChIKeyKSIUKUVHBDKQEM-UHFFFAOYSA-M
XLogP1.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.66
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methyl-5H-imidazo[2,1-a]isoindole bromide?
The IUPAC name of 2-(4-chlorophenyl)-3-methyl-5H-imidazo[2,1-a]isoindole bromide (CID 21239832) is 2-(4-chlorophenyl)-3-methyl-5H-imidazo[2,1-a]isoindole bromide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methyl-5H-imidazo[2,1-a]isoindole bromide?
The canonical SMILES for 2-(4-chlorophenyl)-3-methyl-5H-imidazo[2,1-a]isoindole bromide is Cc1c(-c2ccc(Cl)cc2)nc2n1Cc1ccccc1-2.[Br-].
What is the InChIKey of 2-(4-chlorophenyl)-3-methyl-5H-imidazo[2,1-a]isoindole bromide?
The InChIKey is KSIUKUVHBDKQEM-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13ClN2.BrH/c1-11-16(12-6-8-14(18)9-7-12)19-17-15-5-3-2-4-13(15)10-20(11)17;/h2-9H,10H2,1H3;1H/p-1.
What are the key properties of 2-(4-chlorophenyl)-3-methyl-5H-imidazo[2,1-a]isoindole bromide?
2-(4-chlorophenyl)-3-methyl-5H-imidazo[2,1-a]isoindole bromide has a molecular weight of 360.66 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-methyl-5H-imidazo[2,1-a]isoindole bromide is sourced from PubChem (CID 21239832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).