N-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]propanamide

C24H19FN4O3 — CID 67044825

IUPACN-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C24H19FN4O3/c1-2-21(30)28-23-26-19-12-7-14(13-20(19)27-23)24(32)18-6-4-3-5-17(18)22(31)29(24)16-10-8-15(25)9-11-16/h3-13,32H,2H2,1H3,(H2,26,27,28,30)
InChIKeyOROSVFNNWMXDQP-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.90
Rot. Bonds4

About N-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]propanamide

N-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]propanamide (PubChem CID 67044825) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]propanamide
PubChem CID67044825
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC NameN-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C24H19FN4O3/c1-2-21(30)28-23-26-19-12-7-14(13-20(19)27-23)24(32)18-6-4-3-5-17(18)22(31)29(24)16-10-8-15(25)9-11-16/h3-13,32H,2H2,1H3,(H2,26,27,28,30)
InChIKeyOROSVFNNWMXDQP-UHFFFAOYSA-N
XLogP3.90
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]propanamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]propanamide (CID 67044825) is N-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]propanamide.
What is the SMILES notation for N-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]propanamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]propanamide is CCC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3c3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]propanamide?
The InChIKey is OROSVFNNWMXDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-2-21(30)28-23-26-19-12-7-14(13-20(19)27-23)24(32)18-6-4-3-5-17(18)22(31)29(24)16-10-8-15(25)9-11-16/h3-13,32H,2H2,1H3,(H2,26,27,28,30).
What are the key properties of N-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]propanamide?
N-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]propanamide has a molecular weight of 430.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-fluorophenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]propanamide is sourced from PubChem (CID 67044825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).