[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone

C22H20FN5O — CID 71783796

IUPAC[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone
SMILESCc1ccc2nc(C3CN(C(=O)c4cc(-c5ccc(F)cc5)nn4C)C3)[nH]c2c1
InChIInChI=1S/C22H20FN5O/c1-13-3-8-17-19(9-13)25-21(24-17)15-11-28(12-15)22(29)20-10-18(26-27(20)2)14-4-6-16(23)7-5-14/h3-10,15H,11-12H2,1-2H3,(H,24,25)
InChIKeyJWLJKHOGMOIRDR-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.65
Rot. Bonds3

About [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone (PubChem CID 71783796) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone
PubChem CID71783796
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone
SMILESCc1ccc2nc(C3CN(C(=O)c4cc(-c5ccc(F)cc5)nn4C)C3)[nH]c2c1
InChIInChI=1S/C22H20FN5O/c1-13-3-8-17-19(9-13)25-21(24-17)15-11-28(12-15)22(29)20-10-18(26-27(20)2)14-4-6-16(23)7-5-14/h3-10,15H,11-12H2,1-2H3,(H,24,25)
InChIKeyJWLJKHOGMOIRDR-UHFFFAOYSA-N
XLogP3.65
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone (CID 71783796) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone is Cc1ccc2nc(C3CN(C(=O)c4cc(-c5ccc(F)cc5)nn4C)C3)[nH]c2c1.
What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone?
The InChIKey is JWLJKHOGMOIRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-13-3-8-17-19(9-13)25-21(24-17)15-11-28(12-15)22(29)20-10-18(26-27(20)2)14-4-6-16(23)7-5-14/h3-10,15H,11-12H2,1-2H3,(H,24,25).
What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone?
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone has a molecular weight of 389.43 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 71783796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).