2-[2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione

C18H13Cl2N3O2 — CID 11847172

IUPAC2-[2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione
SMILESCn1c(CCN2C(=O)c3ccccc3C2=O)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C18H13Cl2N3O2/c1-22-15-9-13(20)12(19)8-14(15)21-16(22)6-7-23-17(24)10-4-2-3-5-11(10)18(23)25/h2-5,8-9H,6-7H2,1H3
InChIKeyDQXIYUNRQPILQE-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.72
Rot. Bonds3

About 2-[2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione

2-[2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione (PubChem CID 11847172) has the molecular formula C18H13Cl2N3O2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 2-[2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione
PubChem CID11847172
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC Name2-[2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione
SMILESCn1c(CCN2C(=O)c3ccccc3C2=O)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C18H13Cl2N3O2/c1-22-15-9-13(20)12(19)8-14(15)21-16(22)6-7-23-17(24)10-4-2-3-5-11(10)18(23)25/h2-5,8-9H,6-7H2,1H3
InChIKeyDQXIYUNRQPILQE-UHFFFAOYSA-N
XLogP3.72
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione (CID 11847172) is 2-[2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione is Cn1c(CCN2C(=O)c3ccccc3C2=O)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 2-[2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione?
The InChIKey is DQXIYUNRQPILQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c1-22-15-9-13(20)12(19)8-14(15)21-16(22)6-7-23-17(24)10-4-2-3-5-11(10)18(23)25/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2-[2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione?
2-[2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione has a molecular weight of 374.23 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6-dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 11847172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).