4-(3,5-dimethylphenoxy)-3-ethyl-1H-benzimidazol-2-one

C17H18N2O2 — CID 146001248

IUPAC4-(3,5-dimethylphenoxy)-3-ethyl-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cccc(Oc3cc(C)cc(C)c3)c21
InChIInChI=1S/C17H18N2O2/c1-4-19-16-14(18-17(19)20)6-5-7-15(16)21-13-9-11(2)8-12(3)10-13/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyDVXVPYYPPJWRIL-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.76
Rot. Bonds3

About 4-(3,5-dimethylphenoxy)-3-ethyl-1H-benzimidazol-2-one

4-(3,5-dimethylphenoxy)-3-ethyl-1H-benzimidazol-2-one (PubChem CID 146001248) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-3-ethyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-3-ethyl-1H-benzimidazol-2-one
PubChem CID146001248
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-(3,5-dimethylphenoxy)-3-ethyl-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cccc(Oc3cc(C)cc(C)c3)c21
InChIInChI=1S/C17H18N2O2/c1-4-19-16-14(18-17(19)20)6-5-7-15(16)21-13-9-11(2)8-12(3)10-13/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyDVXVPYYPPJWRIL-UHFFFAOYSA-N
XLogP3.76
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-3-ethyl-1H-benzimidazol-2-one?
The IUPAC name of 4-(3,5-dimethylphenoxy)-3-ethyl-1H-benzimidazol-2-one (CID 146001248) is 4-(3,5-dimethylphenoxy)-3-ethyl-1H-benzimidazol-2-one.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-3-ethyl-1H-benzimidazol-2-one?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-3-ethyl-1H-benzimidazol-2-one is CCn1c(=O)[nH]c2cccc(Oc3cc(C)cc(C)c3)c21.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-3-ethyl-1H-benzimidazol-2-one?
The InChIKey is DVXVPYYPPJWRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-4-19-16-14(18-17(19)20)6-5-7-15(16)21-13-9-11(2)8-12(3)10-13/h5-10H,4H2,1-3H3,(H,18,20).
What are the key properties of 4-(3,5-dimethylphenoxy)-3-ethyl-1H-benzimidazol-2-one?
4-(3,5-dimethylphenoxy)-3-ethyl-1H-benzimidazol-2-one has a molecular weight of 282.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-3-ethyl-1H-benzimidazol-2-one is sourced from PubChem (CID 146001248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).