5-[2-ethyl-6-(4-methylphenyl)phenyl]-1,3-dihydrobenzimidazol-2-one

C22H20N2O — CID 145180839

IUPAC5-[2-ethyl-6-(4-methylphenyl)phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCc1cccc(-c2ccc(C)cc2)c1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C22H20N2O/c1-3-15-5-4-6-18(16-9-7-14(2)8-10-16)21(15)17-11-12-19-20(13-17)24-22(25)23-19/h4-13H,3H2,1-2H3,(H2,23,24,25)
InChIKeyAWJFHOZMQABQBK-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.06
Rot. Bonds3

About 5-[2-ethyl-6-(4-methylphenyl)phenyl]-1,3-dihydrobenzimidazol-2-one

5-[2-ethyl-6-(4-methylphenyl)phenyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 145180839) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[2-ethyl-6-(4-methylphenyl)phenyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-ethyl-6-(4-methylphenyl)phenyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID145180839
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name5-[2-ethyl-6-(4-methylphenyl)phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCc1cccc(-c2ccc(C)cc2)c1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C22H20N2O/c1-3-15-5-4-6-18(16-9-7-14(2)8-10-16)21(15)17-11-12-19-20(13-17)24-22(25)23-19/h4-13H,3H2,1-2H3,(H2,23,24,25)
InChIKeyAWJFHOZMQABQBK-UHFFFAOYSA-N
XLogP5.06
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[2-ethyl-6-(4-methylphenyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-ethyl-6-(4-methylphenyl)phenyl]-1,3-dihydrobenzimidazol-2-one (CID 145180839) is 5-[2-ethyl-6-(4-methylphenyl)phenyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-ethyl-6-(4-methylphenyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-ethyl-6-(4-methylphenyl)phenyl]-1,3-dihydrobenzimidazol-2-one is CCc1cccc(-c2ccc(C)cc2)c1-c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[2-ethyl-6-(4-methylphenyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is AWJFHOZMQABQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-3-15-5-4-6-18(16-9-7-14(2)8-10-16)21(15)17-11-12-19-20(13-17)24-22(25)23-19/h4-13H,3H2,1-2H3,(H2,23,24,25).
What are the key properties of 5-[2-ethyl-6-(4-methylphenyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-ethyl-6-(4-methylphenyl)phenyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 328.42 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethyl-6-(4-methylphenyl)phenyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 145180839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).