5-(3H-benzimidazol-5-yl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine

C16H12FN5O — CID 25024688

IUPAC5-(3H-benzimidazol-5-yl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(CNc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1
InChIInChI=1S/C16H12FN5O/c17-12-4-1-10(2-5-12)8-18-16-22-21-15(23-16)11-3-6-13-14(7-11)20-9-19-13/h1-7,9H,8H2,(H,18,22)(H,19,20)
InChIKeyFDYFMOKHZPZUKF-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.36
Rot. Bonds4

About 5-(3H-benzimidazol-5-yl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine

5-(3H-benzimidazol-5-yl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 25024688) has the molecular formula C16H12FN5O and a molecular weight of 309.30 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-yl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-yl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID25024688
Molecular FormulaC16H12FN5O
Molecular Weight309.30 g/mol
Exact Mass309.10
IUPAC Name5-(3H-benzimidazol-5-yl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(CNc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1
InChIInChI=1S/C16H12FN5O/c17-12-4-1-10(2-5-12)8-18-16-22-21-15(23-16)11-3-6-13-14(7-11)20-9-19-13/h1-7,9H,8H2,(H,18,22)(H,19,20)
InChIKeyFDYFMOKHZPZUKF-UHFFFAOYSA-N
XLogP3.36
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-yl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3H-benzimidazol-5-yl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 25024688) is 5-(3H-benzimidazol-5-yl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3H-benzimidazol-5-yl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3H-benzimidazol-5-yl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine is Fc1ccc(CNc2nnc(-c3ccc4nc[nH]c4c3)o2)cc1.
What is the InChIKey of 5-(3H-benzimidazol-5-yl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is FDYFMOKHZPZUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O/c17-12-4-1-10(2-5-12)8-18-16-22-21-15(23-16)11-3-6-13-14(7-11)20-9-19-13/h1-7,9H,8H2,(H,18,22)(H,19,20).
What are the key properties of 5-(3H-benzimidazol-5-yl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(3H-benzimidazol-5-yl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 309.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-yl)-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25024688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).