N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide

C21H24F2N6O2 — CID 166185682

IUPACN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cnn(C2CCN(C(=O)C(=O)NC(C)c3nc4ccccc4n3C(F)F)CC2)c1
InChIInChI=1S/C21H24F2N6O2/c1-13-11-24-28(12-13)15-7-9-27(10-8-15)20(31)19(30)25-14(2)18-26-16-5-3-4-6-17(16)29(18)21(22)23/h3-6,11-12,14-15,21H,7-10H2,1-2H3,(H,25,30)
InChIKeyYCMMHIJQWYKQAH-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.98
Rot. Bonds4

About N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide

N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 166185682) has the molecular formula C21H24F2N6O2 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID166185682
Molecular FormulaC21H24F2N6O2
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC NameN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cnn(C2CCN(C(=O)C(=O)NC(C)c3nc4ccccc4n3C(F)F)CC2)c1
InChIInChI=1S/C21H24F2N6O2/c1-13-11-24-28(12-13)15-7-9-27(10-8-15)20(31)19(30)25-14(2)18-26-16-5-3-4-6-17(16)29(18)21(22)23/h3-6,11-12,14-15,21H,7-10H2,1-2H3,(H,25,30)
InChIKeyYCMMHIJQWYKQAH-UHFFFAOYSA-N
XLogP2.98
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 41200270
N-[2-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17466097
N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
CID 55739430
ethyl 4-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazine-1-carboxylate
CID 25330445
N-[(3-acetamidophenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide
CID 167861986
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-4-(2-phenylethynyl)benzamide
CID 24597937
(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethanol
CID 7042738
2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole
CID 154766136
3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide
CID 136543844
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 42932140
2-bromo-N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide
CID 25330658
2-bromo-N-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide
CID 25330657

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide (CID 166185682) is N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide is Cc1cnn(C2CCN(C(=O)C(=O)NC(C)c3nc4ccccc4n3C(F)F)CC2)c1.
What is the InChIKey of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is YCMMHIJQWYKQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N6O2/c1-13-11-24-28(12-13)15-7-9-27(10-8-15)20(31)19(30)25-14(2)18-26-16-5-3-4-6-17(16)29(18)21(22)23/h3-6,11-12,14-15,21H,7-10H2,1-2H3,(H,25,30).
What are the key properties of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide?
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 430.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 166185682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).