N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-imidazol-1-ylbenzamide

C23H20FN5O — CID 45189618

IUPACN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-imidazol-1-ylbenzamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccccc1F)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H20FN5O/c24-19-4-1-2-6-22(19)29-21-7-3-5-20(18(21)14-26-29)27-23(30)16-8-10-17(11-9-16)28-13-12-25-15-28/h1-2,4,6,8-15,20H,3,5,7H2,(H,27,30)
InChIKeyCYBIHFZWDJGKSD-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.00
Rot. Bonds4

About N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-imidazol-1-ylbenzamide

N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-imidazol-1-ylbenzamide (PubChem CID 45189618) has the molecular formula C23H20FN5O and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-imidazol-1-ylbenzamide
PubChem CID45189618
Molecular FormulaC23H20FN5O
Molecular Weight401.44 g/mol
Exact Mass401.17
IUPAC NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-imidazol-1-ylbenzamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccccc1F)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H20FN5O/c24-19-4-1-2-6-22(19)29-21-7-3-5-20(18(21)14-26-29)27-23(30)16-8-10-17(11-9-16)28-13-12-25-15-28/h1-2,4,6,8-15,20H,3,5,7H2,(H,27,30)
InChIKeyCYBIHFZWDJGKSD-UHFFFAOYSA-N
XLogP4.00
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-imidazol-1-ylbenzamide (CID 45189618) is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-imidazol-1-ylbenzamide is O=C(NC1CCCc2c1cnn2-c1ccccc1F)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-imidazol-1-ylbenzamide?
The InChIKey is CYBIHFZWDJGKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c24-19-4-1-2-6-22(19)29-21-7-3-5-20(18(21)14-26-29)27-23(30)16-8-10-17(11-9-16)28-13-12-25-15-28/h1-2,4,6,8-15,20H,3,5,7H2,(H,27,30).
What are the key properties of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-imidazol-1-ylbenzamide?
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-imidazol-1-ylbenzamide has a molecular weight of 401.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 45189618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).