5,6-dichloro-3-(4-ethoxyphenyl)-1H-benzimidazol-2-one

C15H12Cl2N2O2 — CID 69244397

IUPAC5,6-dichloro-3-(4-ethoxyphenyl)-1H-benzimidazol-2-one
SMILESCCOc1ccc(-n2c(=O)[nH]c3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C15H12Cl2N2O2/c1-2-21-10-5-3-9(4-6-10)19-14-8-12(17)11(16)7-13(14)18-15(19)20/h3-8H,2H2,1H3,(H,18,20)
InChIKeyYTZFUQULFWRFGT-UHFFFAOYSA-N
MW323.18 g/mol
LogP4.02
Rot. Bonds3

About 5,6-dichloro-3-(4-ethoxyphenyl)-1H-benzimidazol-2-one

5,6-dichloro-3-(4-ethoxyphenyl)-1H-benzimidazol-2-one (PubChem CID 69244397) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 5,6-dichloro-3-(4-ethoxyphenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5,6-dichloro-3-(4-ethoxyphenyl)-1H-benzimidazol-2-one
PubChem CID69244397
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Name5,6-dichloro-3-(4-ethoxyphenyl)-1H-benzimidazol-2-one
SMILESCCOc1ccc(-n2c(=O)[nH]c3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C15H12Cl2N2O2/c1-2-21-10-5-3-9(4-6-10)19-14-8-12(17)11(16)7-13(14)18-15(19)20/h3-8H,2H2,1H3,(H,18,20)
InChIKeyYTZFUQULFWRFGT-UHFFFAOYSA-N
XLogP4.02
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(4-ethoxyphenyl)-1H-benzimidazol-2-one?
The IUPAC name of 5,6-dichloro-3-(4-ethoxyphenyl)-1H-benzimidazol-2-one (CID 69244397) is 5,6-dichloro-3-(4-ethoxyphenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5,6-dichloro-3-(4-ethoxyphenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5,6-dichloro-3-(4-ethoxyphenyl)-1H-benzimidazol-2-one is CCOc1ccc(-n2c(=O)[nH]c3cc(Cl)c(Cl)cc32)cc1.
What is the InChIKey of 5,6-dichloro-3-(4-ethoxyphenyl)-1H-benzimidazol-2-one?
The InChIKey is YTZFUQULFWRFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c1-2-21-10-5-3-9(4-6-10)19-14-8-12(17)11(16)7-13(14)18-15(19)20/h3-8H,2H2,1H3,(H,18,20).
What are the key properties of 5,6-dichloro-3-(4-ethoxyphenyl)-1H-benzimidazol-2-one?
5,6-dichloro-3-(4-ethoxyphenyl)-1H-benzimidazol-2-one has a molecular weight of 323.18 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(4-ethoxyphenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 69244397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).