3-methyl-5-(2-phenylethoxy)-1H-benzimidazol-2-one

C16H16N2O2 — CID 155544507

IUPAC3-methyl-5-(2-phenylethoxy)-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2ccc(OCCc3ccccc3)cc21
InChIInChI=1S/C16H16N2O2/c1-18-15-11-13(7-8-14(15)17-16(18)19)20-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKeyQENDLIVVTREGMW-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.49
Rot. Bonds4

About 3-methyl-5-(2-phenylethoxy)-1H-benzimidazol-2-one

3-methyl-5-(2-phenylethoxy)-1H-benzimidazol-2-one (PubChem CID 155544507) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-methyl-5-(2-phenylethoxy)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-5-(2-phenylethoxy)-1H-benzimidazol-2-one
PubChem CID155544507
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-methyl-5-(2-phenylethoxy)-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2ccc(OCCc3ccccc3)cc21
InChIInChI=1S/C16H16N2O2/c1-18-15-11-13(7-8-14(15)17-16(18)19)20-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKeyQENDLIVVTREGMW-UHFFFAOYSA-N
XLogP2.49
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-phenylethoxy)-1H-benzimidazol-2-one?
The IUPAC name of 3-methyl-5-(2-phenylethoxy)-1H-benzimidazol-2-one (CID 155544507) is 3-methyl-5-(2-phenylethoxy)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-methyl-5-(2-phenylethoxy)-1H-benzimidazol-2-one?
The canonical SMILES for 3-methyl-5-(2-phenylethoxy)-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2ccc(OCCc3ccccc3)cc21.
What is the InChIKey of 3-methyl-5-(2-phenylethoxy)-1H-benzimidazol-2-one?
The InChIKey is QENDLIVVTREGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18-15-11-13(7-8-14(15)17-16(18)19)20-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,17,19).
What are the key properties of 3-methyl-5-(2-phenylethoxy)-1H-benzimidazol-2-one?
3-methyl-5-(2-phenylethoxy)-1H-benzimidazol-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-phenylethoxy)-1H-benzimidazol-2-one is sourced from PubChem (CID 155544507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).