N-(1H-benzimidazol-2-yl)-3-fluorobenzamide

C14H10FN3O — CID 2081457

IUPACN-(1H-benzimidazol-2-yl)-3-fluorobenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1cccc(F)c1
InChIInChI=1S/C14H10FN3O/c15-10-5-3-4-9(8-10)13(19)18-14-16-11-6-1-2-7-12(11)17-14/h1-8H,(H2,16,17,18,19)
InChIKeyMTFZKSMAVQQVOZ-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.95
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-3-fluorobenzamide

N-(1H-benzimidazol-2-yl)-3-fluorobenzamide (PubChem CID 2081457) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-fluorobenzamide
PubChem CID2081457
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC NameN-(1H-benzimidazol-2-yl)-3-fluorobenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1cccc(F)c1
InChIInChI=1S/C14H10FN3O/c15-10-5-3-4-9(8-10)13(19)18-14-16-11-6-1-2-7-12(11)17-14/h1-8H,(H2,16,17,18,19)
InChIKeyMTFZKSMAVQQVOZ-UHFFFAOYSA-N
XLogP2.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-fluorobenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-fluorobenzamide (CID 2081457) is N-(1H-benzimidazol-2-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-fluorobenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-fluorobenzamide is O=C(Nc1nc2ccccc2[nH]1)c1cccc(F)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-fluorobenzamide?
The InChIKey is MTFZKSMAVQQVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-10-5-3-4-9(8-10)13(19)18-14-16-11-6-1-2-7-12(11)17-14/h1-8H,(H2,16,17,18,19).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-fluorobenzamide?
N-(1H-benzimidazol-2-yl)-3-fluorobenzamide has a molecular weight of 255.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 2081457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).