5-(4-chlorophenyl)-2,2-dimethyl-3H-imidazo[1,2-b]isoindol-5-ol

C18H17ClN2O — CID 10805108

IUPAC5-(4-chlorophenyl)-2,2-dimethyl-3H-imidazo[1,2-b]isoindol-5-ol
SMILESCC1(C)CN2C(=N1)c1ccccc1C2(O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O/c1-17(2)11-21-16(20-17)14-5-3-4-6-15(14)18(21,22)12-7-9-13(19)10-8-12/h3-10,22H,11H2,1-2H3
InChIKeyXEUNLTQABDZKBW-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.39
Rot. Bonds1

About 5-(4-chlorophenyl)-2,2-dimethyl-3H-imidazo[1,2-b]isoindol-5-ol

5-(4-chlorophenyl)-2,2-dimethyl-3H-imidazo[1,2-b]isoindol-5-ol (PubChem CID 10805108) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2,2-dimethyl-3H-imidazo[1,2-b]isoindol-5-ol.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2,2-dimethyl-3H-imidazo[1,2-b]isoindol-5-ol
PubChem CID10805108
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name5-(4-chlorophenyl)-2,2-dimethyl-3H-imidazo[1,2-b]isoindol-5-ol
SMILESCC1(C)CN2C(=N1)c1ccccc1C2(O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O/c1-17(2)11-21-16(20-17)14-5-3-4-6-15(14)18(21,22)12-7-9-13(19)10-8-12/h3-10,22H,11H2,1-2H3
InChIKeyXEUNLTQABDZKBW-UHFFFAOYSA-N
XLogP3.39
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2,2-dimethyl-3H-imidazo[1,2-b]isoindol-5-ol?
The IUPAC name of 5-(4-chlorophenyl)-2,2-dimethyl-3H-imidazo[1,2-b]isoindol-5-ol (CID 10805108) is 5-(4-chlorophenyl)-2,2-dimethyl-3H-imidazo[1,2-b]isoindol-5-ol.
What is the SMILES notation for 5-(4-chlorophenyl)-2,2-dimethyl-3H-imidazo[1,2-b]isoindol-5-ol?
The canonical SMILES for 5-(4-chlorophenyl)-2,2-dimethyl-3H-imidazo[1,2-b]isoindol-5-ol is CC1(C)CN2C(=N1)c1ccccc1C2(O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2,2-dimethyl-3H-imidazo[1,2-b]isoindol-5-ol?
The InChIKey is XEUNLTQABDZKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-17(2)11-21-16(20-17)14-5-3-4-6-15(14)18(21,22)12-7-9-13(19)10-8-12/h3-10,22H,11H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-2,2-dimethyl-3H-imidazo[1,2-b]isoindol-5-ol?
5-(4-chlorophenyl)-2,2-dimethyl-3H-imidazo[1,2-b]isoindol-5-ol has a molecular weight of 312.80 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2,2-dimethyl-3H-imidazo[1,2-b]isoindol-5-ol is sourced from PubChem (CID 10805108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).