4-[4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-imidazol-5-yl]piperidin-2-one

C21H18FN7O — CID 118987750

IUPAC4-[4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-imidazol-5-yl]piperidin-2-one
SMILESO=C1CC(c2[nH]c(-c3ccc(-c4nn[nH]n4)cc3)nc2-c2ccc(F)cc2)CCN1
InChIInChI=1S/C21H18FN7O/c22-16-7-5-12(6-8-16)18-19(15-9-10-23-17(30)11-15)25-20(24-18)13-1-3-14(4-2-13)21-26-28-29-27-21/h1-8,15H,9-11H2,(H,23,30)(H,24,25)(H,26,27,28,29)
InChIKeyHNPKILWENQSIAU-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.06
Rot. Bonds4

About 4-[4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-imidazol-5-yl]piperidin-2-one

4-[4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-imidazol-5-yl]piperidin-2-one (PubChem CID 118987750) has the molecular formula C21H18FN7O and a molecular weight of 403.42 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-imidazol-5-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-imidazol-5-yl]piperidin-2-one
PubChem CID118987750
Molecular FormulaC21H18FN7O
Molecular Weight403.42 g/mol
Exact Mass403.16
IUPAC Name4-[4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-imidazol-5-yl]piperidin-2-one
SMILESO=C1CC(c2[nH]c(-c3ccc(-c4nn[nH]n4)cc3)nc2-c2ccc(F)cc2)CCN1
InChIInChI=1S/C21H18FN7O/c22-16-7-5-12(6-8-16)18-19(15-9-10-23-17(30)11-15)25-20(24-18)13-1-3-14(4-2-13)21-26-28-29-27-21/h1-8,15H,9-11H2,(H,23,30)(H,24,25)(H,26,27,28,29)
InChIKeyHNPKILWENQSIAU-UHFFFAOYSA-N
XLogP3.06
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-imidazol-5-yl]piperidin-2-one?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-imidazol-5-yl]piperidin-2-one (CID 118987750) is 4-[4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-imidazol-5-yl]piperidin-2-one.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-imidazol-5-yl]piperidin-2-one?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-imidazol-5-yl]piperidin-2-one is O=C1CC(c2[nH]c(-c3ccc(-c4nn[nH]n4)cc3)nc2-c2ccc(F)cc2)CCN1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-imidazol-5-yl]piperidin-2-one?
The InChIKey is HNPKILWENQSIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O/c22-16-7-5-12(6-8-16)18-19(15-9-10-23-17(30)11-15)25-20(24-18)13-1-3-14(4-2-13)21-26-28-29-27-21/h1-8,15H,9-11H2,(H,23,30)(H,24,25)(H,26,27,28,29).
What are the key properties of 4-[4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-imidazol-5-yl]piperidin-2-one?
4-[4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-imidazol-5-yl]piperidin-2-one has a molecular weight of 403.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-imidazol-5-yl]piperidin-2-one is sourced from PubChem (CID 118987750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).