N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide

C22H18FN3O2 — CID 166167429

IUPACN-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3ccc4c(c3)ncn4C)c2O)cc1F
InChIInChI=1S/C22H18FN3O2/c1-13(27)25-19-8-6-14(10-18(19)23)16-4-3-5-17(22(16)28)15-7-9-21-20(11-15)24-12-26(21)2/h3-12,28H,1-2H3,(H,25,27)
InChIKeyLFHWXYAREQSSGD-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.71
Rot. Bonds3

About N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide

N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide (PubChem CID 166167429) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide
PubChem CID166167429
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC NameN-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(-c3ccc4c(c3)ncn4C)c2O)cc1F
InChIInChI=1S/C22H18FN3O2/c1-13(27)25-19-8-6-14(10-18(19)23)16-4-3-5-17(22(16)28)15-7-9-21-20(11-15)24-12-26(21)2/h3-12,28H,1-2H3,(H,25,27)
InChIKeyLFHWXYAREQSSGD-UHFFFAOYSA-N
XLogP4.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide (CID 166167429) is N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(-c3ccc4c(c3)ncn4C)c2O)cc1F.
What is the InChIKey of N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide?
The InChIKey is LFHWXYAREQSSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-13(27)25-19-8-6-14(10-18(19)23)16-4-3-5-17(22(16)28)15-7-9-21-20(11-15)24-12-26(21)2/h3-12,28H,1-2H3,(H,25,27).
What are the key properties of N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide?
N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide has a molecular weight of 375.40 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[2-hydroxy-3-(1-methylbenzimidazol-5-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 166167429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).