N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide

C25H20FN5O — CID 60587521

IUPACN-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)cnn1-c1ccccc1
InChIInChI=1S/C25H20FN5O/c1-16-20(15-27-31(16)19-8-3-2-4-9-19)25(32)28-18-11-12-22-23(14-18)30-24(29-22)13-17-7-5-6-10-21(17)26/h2-12,14-15H,13H2,1H3,(H,28,32)(H,29,30)
InChIKeyHFUACXLJAYFUTN-UHFFFAOYSA-N
MW425.47 g/mol
LogP5.04
Rot. Bonds5

About N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide

N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 60587521) has the molecular formula C25H20FN5O and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID60587521
Molecular FormulaC25H20FN5O
Molecular Weight425.47 g/mol
Exact Mass425.17
IUPAC NameN-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)cnn1-c1ccccc1
InChIInChI=1S/C25H20FN5O/c1-16-20(15-27-31(16)19-8-3-2-4-9-19)25(32)28-18-11-12-22-23(14-18)30-24(29-22)13-17-7-5-6-10-21(17)26/h2-12,14-15H,13H2,1H3,(H,28,32)(H,29,30)
InChIKeyHFUACXLJAYFUTN-UHFFFAOYSA-N
XLogP5.04
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.47
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 120503219
2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide
CID 119859268
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 52661403
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide
CID 52661392
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798737
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-methoxy-3-nitrobenzamide
CID 52688566
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108743569
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55857428
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide
CID 52661400
1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 31814622
5-methyl-1-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-4-carboxamide
CID 75495888

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide (CID 60587521) is N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)cnn1-c1ccccc1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is HFUACXLJAYFUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O/c1-16-20(15-27-31(16)19-8-3-2-4-9-19)25(32)28-18-11-12-22-23(14-18)30-24(29-22)13-17-7-5-6-10-21(17)26/h2-12,14-15H,13H2,1H3,(H,28,32)(H,29,30).
What are the key properties of N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide?
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 425.47 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 60587521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).