N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-fluorobenzamide

C20H13ClFN3O — CID 45484465

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H13ClFN3O/c21-16-10-9-14(23-20(26)12-5-7-13(22)8-6-12)11-15(16)19-24-17-3-1-2-4-18(17)25-19/h1-11H,(H,23,26)(H,24,25)
InChIKeyAAGFPQMUULEKGM-UHFFFAOYSA-N
MW365.80 g/mol
LogP5.27
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-fluorobenzamide

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-fluorobenzamide (PubChem CID 45484465) has the molecular formula C20H13ClFN3O and a molecular weight of 365.80 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-fluorobenzamide
PubChem CID45484465
Molecular FormulaC20H13ClFN3O
Molecular Weight365.80 g/mol
Exact Mass365.07
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H13ClFN3O/c21-16-10-9-14(23-20(26)12-5-7-13(22)8-6-12)11-15(16)19-24-17-3-1-2-4-18(17)25-19/h1-11H,(H,23,26)(H,24,25)
InChIKeyAAGFPQMUULEKGM-UHFFFAOYSA-N
XLogP5.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.80
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-fluorobenzamide (CID 45484465) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-fluorobenzamide is O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-fluorobenzamide?
The InChIKey is AAGFPQMUULEKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O/c21-16-10-9-14(23-20(26)12-5-7-13(22)8-6-12)11-15(16)19-24-17-3-1-2-4-18(17)25-19/h1-11H,(H,23,26)(H,24,25).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-fluorobenzamide?
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-fluorobenzamide has a molecular weight of 365.80 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-fluorobenzamide is sourced from PubChem (CID 45484465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).