5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-cyclobutyl-3-methylbenzimidazol-2-one

C21H20FN5O — CID 23581628

IUPAC5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-cyclobutyl-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(C2CCC2)c2ccc(-c3c(N)n[nH]c3-c3ccc(F)cc3)cc21
InChIInChI=1S/C21H20FN5O/c1-26-17-11-13(7-10-16(17)27(21(26)28)15-3-2-4-15)18-19(24-25-20(18)23)12-5-8-14(22)9-6-12/h5-11,15H,2-4H2,1H3,(H3,23,24,25)
InChIKeyVFSGRPGRHJFDST-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.84
Rot. Bonds3

About 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-cyclobutyl-3-methylbenzimidazol-2-one

5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-cyclobutyl-3-methylbenzimidazol-2-one (PubChem CID 23581628) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-cyclobutyl-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-cyclobutyl-3-methylbenzimidazol-2-one
PubChem CID23581628
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-cyclobutyl-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(C2CCC2)c2ccc(-c3c(N)n[nH]c3-c3ccc(F)cc3)cc21
InChIInChI=1S/C21H20FN5O/c1-26-17-11-13(7-10-16(17)27(21(26)28)15-3-2-4-15)18-19(24-25-20(18)23)12-5-8-14(22)9-6-12/h5-11,15H,2-4H2,1H3,(H3,23,24,25)
InChIKeyVFSGRPGRHJFDST-UHFFFAOYSA-N
XLogP3.84
TPSA81.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-cyclobutyl-3-methylbenzimidazol-2-one 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 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-cyclobutyl-3-methylbenzimidazol-2-one?
The IUPAC name of 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-cyclobutyl-3-methylbenzimidazol-2-one (CID 23581628) is 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-cyclobutyl-3-methylbenzimidazol-2-one.
What is the SMILES notation for 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-cyclobutyl-3-methylbenzimidazol-2-one?
The canonical SMILES for 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-cyclobutyl-3-methylbenzimidazol-2-one is Cn1c(=O)n(C2CCC2)c2ccc(-c3c(N)n[nH]c3-c3ccc(F)cc3)cc21.
What is the InChIKey of 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-cyclobutyl-3-methylbenzimidazol-2-one?
The InChIKey is VFSGRPGRHJFDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-26-17-11-13(7-10-16(17)27(21(26)28)15-3-2-4-15)18-19(24-25-20(18)23)12-5-8-14(22)9-6-12/h5-11,15H,2-4H2,1H3,(H3,23,24,25).
What are the key properties of 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-cyclobutyl-3-methylbenzimidazol-2-one?
5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-cyclobutyl-3-methylbenzimidazol-2-one has a molecular weight of 377.42 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-cyclobutyl-3-methylbenzimidazol-2-one is sourced from PubChem (CID 23581628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).