3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide

C24H19N5O2 — CID 26698161

IUPAC3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C24H19N5O2/c1-15-7-5-6-10-18(15)22-19(14-29(28-22)17-8-3-2-4-9-17)23(30)25-16-11-12-20-21(13-16)27-24(31)26-20/h2-14H,1H3,(H,25,30)(H2,26,27,31)
InChIKeyVJTWABCPUNFRFO-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.27
Rot. Bonds4

About 3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide

3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 26698161) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID26698161
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C24H19N5O2/c1-15-7-5-6-10-18(15)22-19(14-29(28-22)17-8-3-2-4-9-17)23(30)25-16-11-12-20-21(13-16)27-24(31)26-20/h2-14H,1H3,(H,25,30)(H2,26,27,31)
InChIKeyVJTWABCPUNFRFO-UHFFFAOYSA-N
XLogP4.27
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 26715981
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 41118334
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 112824078
N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55806762
N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 55784527
3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29369411
N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 51548267
3-(2-methoxyphenyl)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 8760149
N-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 8744666
N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 26247359
3-(2,4-dimethylphenyl)-N-[3-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 112767352
2-(difluoromethylsulfanyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24624739

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide (CID 26698161) is 3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide is Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is VJTWABCPUNFRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-15-7-5-6-10-18(15)22-19(14-29(28-22)17-8-3-2-4-9-17)23(30)25-16-11-12-20-21(13-16)27-24(31)26-20/h2-14H,1H3,(H,25,30)(H2,26,27,31).
What are the key properties of 3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide?
3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 26698161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).