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

C16H14FN3O — CID 732397

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c17-12-7-5-11(6-8-12)16(21)18-10-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKeyXKCPJXSGCGSDHR-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.67
Rot. Bonds4

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

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide (PubChem CID 732397) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide
PubChem CID732397
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c17-12-7-5-11(6-8-12)16(21)18-10-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKeyXKCPJXSGCGSDHR-UHFFFAOYSA-N
XLogP2.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide (CID 732397) is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide is O=C(NCCc1nc2ccccc2[nH]1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide?
The InChIKey is XKCPJXSGCGSDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-12-7-5-11(6-8-12)16(21)18-10-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide has a molecular weight of 283.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 732397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).