1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide

C24H18ClN5O2 — CID 36665052

IUPAC1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H18ClN5O2/c25-17-8-6-16(7-9-17)22-19(14-30(29-22)13-15-4-2-1-3-5-15)23(31)26-18-10-11-20-21(12-18)28-24(32)27-20/h1-12,14H,13H2,(H,26,31)(H2,27,28,32)
InChIKeyULHTZEOSVYNION-UHFFFAOYSA-N
MW443.89 g/mol
LogP4.67
Rot. Bonds5

About 1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide

1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide (PubChem CID 36665052) has the molecular formula C24H18ClN5O2 and a molecular weight of 443.89 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide
PubChem CID36665052
Molecular FormulaC24H18ClN5O2
Molecular Weight443.89 g/mol
Exact Mass443.11
IUPAC Name1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H18ClN5O2/c25-17-8-6-16(7-9-17)22-19(14-30(29-22)13-15-4-2-1-3-5-15)23(31)26-18-10-11-20-21(12-18)28-24(32)27-20/h1-12,14H,13H2,(H,26,31)(H2,27,28,32)
InChIKeyULHTZEOSVYNION-UHFFFAOYSA-N
XLogP4.67
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
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1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide
CID 43025551
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide (CID 36665052) is 1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide?
The InChIKey is ULHTZEOSVYNION-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O2/c25-17-8-6-16(7-9-17)22-19(14-30(29-22)13-15-4-2-1-3-5-15)23(31)26-18-10-11-20-21(12-18)28-24(32)27-20/h1-12,14H,13H2,(H,26,31)(H2,27,28,32).
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide?
1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide has a molecular weight of 443.89 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 36665052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).