N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide

C26H21ClFN5O2 — CID 23936504

IUPACN-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3n2Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C26H21ClFN5O2/c1-16-14-24(30-25(34)17-10-12-18(35-2)13-11-17)33(31-16)26-29-22-8-3-4-9-23(22)32(26)15-19-20(27)6-5-7-21(19)28/h3-14H,15H2,1-2H3,(H,30,34)
InChIKeyHOZYAWZKZMSKHP-UHFFFAOYSA-N
MW489.94 g/mol
LogP5.63
Rot. Bonds6

About N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide

N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide (PubChem CID 23936504) has the molecular formula C26H21ClFN5O2 and a molecular weight of 489.94 g/mol. Its IUPAC name is N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
PubChem CID23936504
Molecular FormulaC26H21ClFN5O2
Molecular Weight489.94 g/mol
Exact Mass489.14
IUPAC NameN-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3n2Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C26H21ClFN5O2/c1-16-14-24(30-25(34)17-10-12-18(35-2)13-11-17)33(31-16)26-29-22-8-3-4-9-23(22)32(26)15-19-20(27)6-5-7-21(19)28/h3-14H,15H2,1-2H3,(H,30,34)
InChIKeyHOZYAWZKZMSKHP-UHFFFAOYSA-N
XLogP5.63
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.94
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-3,5-dinitrobenzamide
CID 23932625
4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 23848230
N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 3484830
N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide
CID 23761240
N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-nitrobenzamide
CID 23861808
4-fluoro-N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]benzamide
CID 23959240
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979580
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976532
(E)-N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6151720
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19410382
5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide
CID 23849769
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967032

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide (CID 23936504) is N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3n2Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The InChIKey is HOZYAWZKZMSKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN5O2/c1-16-14-24(30-25(34)17-10-12-18(35-2)13-11-17)33(31-16)26-29-22-8-3-4-9-23(22)32(26)15-19-20(27)6-5-7-21(19)28/h3-14H,15H2,1-2H3,(H,30,34).
What are the key properties of N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide?
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide has a molecular weight of 489.94 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 23936504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).