3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one

C20H15FN2O — CID 134084615

IUPAC3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(-c3ccccc3)ccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C20H15FN2O/c21-17-9-6-14(7-10-17)13-23-19-11-8-16(12-18(19)22-20(23)24)15-4-2-1-3-5-15/h1-12H,13H2,(H,22,24)
InChIKeyVYASGXPDMOPDLU-UHFFFAOYSA-N
MW318.35 g/mol
LogP4.18
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one

3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one (PubChem CID 134084615) has the molecular formula C20H15FN2O and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one
PubChem CID134084615
Molecular FormulaC20H15FN2O
Molecular Weight318.35 g/mol
Exact Mass318.12
IUPAC Name3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(-c3ccccc3)ccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C20H15FN2O/c21-17-9-6-14(7-10-17)13-23-19-11-8-16(12-18(19)22-20(23)24)15-4-2-1-3-5-15/h1-12H,13H2,(H,22,24)
InChIKeyVYASGXPDMOPDLU-UHFFFAOYSA-N
XLogP4.18
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one (CID 134084615) is 3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one is O=c1[nH]c2cc(-c3ccccc3)ccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one?
The InChIKey is VYASGXPDMOPDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O/c21-17-9-6-14(7-10-17)13-23-19-11-8-16(12-18(19)22-20(23)24)15-4-2-1-3-5-15/h1-12H,13H2,(H,22,24).
What are the key properties of 3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one?
3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one has a molecular weight of 318.35 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one is sourced from PubChem (CID 134084615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).