N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide

C25H19ClFN5O — CID 3484830

IUPACN-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccccc2F)n(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C25H19ClFN5O/c1-16-14-23(29-24(33)19-6-2-3-7-20(19)27)32(30-16)25-28-21-8-4-5-9-22(21)31(25)15-17-10-12-18(26)13-11-17/h2-14H,15H2,1H3,(H,29,33)
InChIKeyHWJUVJUUBBQADH-UHFFFAOYSA-N
MW459.91 g/mol
LogP5.62
Rot. Bonds5

About N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide

N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide (PubChem CID 3484830) has the molecular formula C25H19ClFN5O and a molecular weight of 459.91 g/mol. Its IUPAC name is N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide
PubChem CID3484830
Molecular FormulaC25H19ClFN5O
Molecular Weight459.91 g/mol
Exact Mass459.13
IUPAC NameN-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccccc2F)n(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C25H19ClFN5O/c1-16-14-23(29-24(33)19-6-2-3-7-20(19)27)32(30-16)25-28-21-8-4-5-9-22(21)31(25)15-17-10-12-18(26)13-11-17/h2-14H,15H2,1H3,(H,29,33)
InChIKeyHWJUVJUUBBQADH-UHFFFAOYSA-N
XLogP5.62
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.91
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-nitrobenzamide
CID 23861808
4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 23848230
5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide
CID 23849769
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 23936504
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-3,5-dinitrobenzamide
CID 23932625
N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide
CID 23761240
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 60591904
4-fluoro-N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]benzamide
CID 23959240
2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752929
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
CID 112810243
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
CID 867624

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide (CID 3484830) is N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide is Cc1cc(NC(=O)c2ccccc2F)n(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The InChIKey is HWJUVJUUBBQADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN5O/c1-16-14-23(29-24(33)19-6-2-3-7-20(19)27)32(30-16)25-28-21-8-4-5-9-22(21)31(25)15-17-10-12-18(26)13-11-17/h2-14H,15H2,1H3,(H,29,33).
What are the key properties of N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide?
N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide has a molecular weight of 459.91 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 3484830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).