1,3-bis[(2-fluorophenyl)methyl]benzimidazol-2-one

C21H16F2N2O — CID 1077054

IUPAC1,3-bis[(2-fluorophenyl)methyl]benzimidazol-2-one
SMILESO=c1n(Cc2ccccc2F)c2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C21H16F2N2O/c22-17-9-3-1-7-15(17)13-24-19-11-5-6-12-20(19)25(21(24)26)14-16-8-2-4-10-18(16)23/h1-12H,13-14H2
InChIKeyDPRPPPODFSJTLD-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.18
Rot. Bonds4

About 1,3-bis[(2-fluorophenyl)methyl]benzimidazol-2-one

1,3-bis[(2-fluorophenyl)methyl]benzimidazol-2-one (PubChem CID 1077054) has the molecular formula C21H16F2N2O and a molecular weight of 350.37 g/mol. Its IUPAC name is 1,3-bis[(2-fluorophenyl)methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-bis[(2-fluorophenyl)methyl]benzimidazol-2-one
PubChem CID1077054
Molecular FormulaC21H16F2N2O
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Name1,3-bis[(2-fluorophenyl)methyl]benzimidazol-2-one
SMILESO=c1n(Cc2ccccc2F)c2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C21H16F2N2O/c22-17-9-3-1-7-15(17)13-24-19-11-5-6-12-20(19)25(21(24)26)14-16-8-2-4-10-18(16)23/h1-12H,13-14H2
InChIKeyDPRPPPODFSJTLD-UHFFFAOYSA-N
XLogP4.18
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2-fluorophenyl)methyl]benzimidazol-2-one?
The IUPAC name of 1,3-bis[(2-fluorophenyl)methyl]benzimidazol-2-one (CID 1077054) is 1,3-bis[(2-fluorophenyl)methyl]benzimidazol-2-one.
What is the SMILES notation for 1,3-bis[(2-fluorophenyl)methyl]benzimidazol-2-one?
The canonical SMILES for 1,3-bis[(2-fluorophenyl)methyl]benzimidazol-2-one is O=c1n(Cc2ccccc2F)c2ccccc2n1Cc1ccccc1F.
What is the InChIKey of 1,3-bis[(2-fluorophenyl)methyl]benzimidazol-2-one?
The InChIKey is DPRPPPODFSJTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O/c22-17-9-3-1-7-15(17)13-24-19-11-5-6-12-20(19)25(21(24)26)14-16-8-2-4-10-18(16)23/h1-12H,13-14H2.
What are the key properties of 1,3-bis[(2-fluorophenyl)methyl]benzimidazol-2-one?
1,3-bis[(2-fluorophenyl)methyl]benzimidazol-2-one has a molecular weight of 350.37 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2-fluorophenyl)methyl]benzimidazol-2-one is sourced from PubChem (CID 1077054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).