5-N-(1-cyclohexylbenzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C24H26N6O2 — CID 167835550

IUPAC5-N-(1-cyclohexylbenzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)Nc2nc3ccccc3n2C2CCCCC2)=NN1c1ccccc1
InChIInChI=1S/C24H26N6O2/c25-22(31)21-15-19(28-30(21)17-11-5-2-6-12-17)23(32)27-24-26-18-13-7-8-14-20(18)29(24)16-9-3-1-4-10-16/h2,5-8,11-14,16,21H,1,3-4,9-10,15H2,(H2,25,31)(H,26,27,32)
InChIKeyBIHXNBKPGNWINX-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.60
Rot. Bonds5

About 5-N-(1-cyclohexylbenzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-(1-cyclohexylbenzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 167835550) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-N-(1-cyclohexylbenzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1-cyclohexylbenzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID167835550
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name5-N-(1-cyclohexylbenzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)Nc2nc3ccccc3n2C2CCCCC2)=NN1c1ccccc1
InChIInChI=1S/C24H26N6O2/c25-22(31)21-15-19(28-30(21)17-11-5-2-6-12-17)23(32)27-24-26-18-13-7-8-14-20(18)29(24)16-9-3-1-4-10-16/h2,5-8,11-14,16,21H,1,3-4,9-10,15H2,(H2,25,31)(H,26,27,32)
InChIKeyBIHXNBKPGNWINX-UHFFFAOYSA-N
XLogP3.60
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-5-N-(1H-benzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36590160
(3S)-5-N-[2-(methylcarbamoyl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999608
cycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 91641460
cyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 55561698
5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55571841
4-(aminomethyl)-N-(1-cyclopentylbenzimidazol-2-yl)benzamide;hydrochloride
CID 119332720
5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46577919
N-(1-cyclohexylbenzimidazol-2-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 52655634
(3R)-5-N-(4-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36623786
N-(1-cyclopentylbenzimidazol-2-yl)-2-methylpyridine-4-carboxamide
CID 136538090
3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride
CID 119951926
5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561159

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-cyclohexylbenzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-(1-cyclohexylbenzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 167835550) is 5-N-(1-cyclohexylbenzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(1-cyclohexylbenzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-(1-cyclohexylbenzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)C1CC(C(=O)Nc2nc3ccccc3n2C2CCCCC2)=NN1c1ccccc1.
What is the InChIKey of 5-N-(1-cyclohexylbenzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is BIHXNBKPGNWINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c25-22(31)21-15-19(28-30(21)17-11-5-2-6-12-17)23(32)27-24-26-18-13-7-8-14-20(18)29(24)16-9-3-1-4-10-16/h2,5-8,11-14,16,21H,1,3-4,9-10,15H2,(H2,25,31)(H,26,27,32).
What are the key properties of 5-N-(1-cyclohexylbenzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-(1-cyclohexylbenzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-cyclohexylbenzimidazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 167835550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).