[2-amino-3-[2-(4-fluorophenyl)ethyl]benzimidazol-5-yl]-phenylmethanone

C22H18FN3O — CID 66552852

IUPAC[2-amino-3-[2-(4-fluorophenyl)ethyl]benzimidazol-5-yl]-phenylmethanone
SMILESNc1nc2ccc(C(=O)c3ccccc3)cc2n1CCc1ccc(F)cc1
InChIInChI=1S/C22H18FN3O/c23-18-9-6-15(7-10-18)12-13-26-20-14-17(8-11-19(20)25-22(26)24)21(27)16-4-2-1-3-5-16/h1-11,14H,12-13H2,(H2,24,25)
InChIKeyIACZGYZPJSFNGL-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.23
Rot. Bonds5

About [2-amino-3-[2-(4-fluorophenyl)ethyl]benzimidazol-5-yl]-phenylmethanone

[2-amino-3-[2-(4-fluorophenyl)ethyl]benzimidazol-5-yl]-phenylmethanone (PubChem CID 66552852) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is [2-amino-3-[2-(4-fluorophenyl)ethyl]benzimidazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-3-[2-(4-fluorophenyl)ethyl]benzimidazol-5-yl]-phenylmethanone
PubChem CID66552852
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name[2-amino-3-[2-(4-fluorophenyl)ethyl]benzimidazol-5-yl]-phenylmethanone
SMILESNc1nc2ccc(C(=O)c3ccccc3)cc2n1CCc1ccc(F)cc1
InChIInChI=1S/C22H18FN3O/c23-18-9-6-15(7-10-18)12-13-26-20-14-17(8-11-19(20)25-22(26)24)21(27)16-4-2-1-3-5-16/h1-11,14H,12-13H2,(H2,24,25)
InChIKeyIACZGYZPJSFNGL-UHFFFAOYSA-N
XLogP4.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-[2-(4-fluorophenyl)ethyl]benzimidazol-5-yl]-phenylmethanone?
The IUPAC name of [2-amino-3-[2-(4-fluorophenyl)ethyl]benzimidazol-5-yl]-phenylmethanone (CID 66552852) is [2-amino-3-[2-(4-fluorophenyl)ethyl]benzimidazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-amino-3-[2-(4-fluorophenyl)ethyl]benzimidazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-amino-3-[2-(4-fluorophenyl)ethyl]benzimidazol-5-yl]-phenylmethanone is Nc1nc2ccc(C(=O)c3ccccc3)cc2n1CCc1ccc(F)cc1.
What is the InChIKey of [2-amino-3-[2-(4-fluorophenyl)ethyl]benzimidazol-5-yl]-phenylmethanone?
The InChIKey is IACZGYZPJSFNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c23-18-9-6-15(7-10-18)12-13-26-20-14-17(8-11-19(20)25-22(26)24)21(27)16-4-2-1-3-5-16/h1-11,14H,12-13H2,(H2,24,25).
What are the key properties of [2-amino-3-[2-(4-fluorophenyl)ethyl]benzimidazol-5-yl]-phenylmethanone?
[2-amino-3-[2-(4-fluorophenyl)ethyl]benzimidazol-5-yl]-phenylmethanone has a molecular weight of 359.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-[2-(4-fluorophenyl)ethyl]benzimidazol-5-yl]-phenylmethanone is sourced from PubChem (CID 66552852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).