2-(benzimidazol-1-yl)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-phenylacetamide

C20H17F2N5O — CID 154858240

IUPAC2-(benzimidazol-1-yl)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-phenylacetamide
SMILESCn1ncc(NC(=O)C(c2ccccc2)n2cnc3ccccc32)c1C(F)F
InChIInChI=1S/C20H17F2N5O/c1-26-18(19(21)22)15(11-24-26)25-20(28)17(13-7-3-2-4-8-13)27-12-23-14-9-5-6-10-16(14)27/h2-12,17,19H,1H3,(H,25,28)
InChIKeyACZKVQWRKIVZNE-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.94
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-phenylacetamide

2-(benzimidazol-1-yl)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-phenylacetamide (PubChem CID 154858240) has the molecular formula C20H17F2N5O and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-phenylacetamide
PubChem CID154858240
Molecular FormulaC20H17F2N5O
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name2-(benzimidazol-1-yl)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-phenylacetamide
SMILESCn1ncc(NC(=O)C(c2ccccc2)n2cnc3ccccc32)c1C(F)F
InChIInChI=1S/C20H17F2N5O/c1-26-18(19(21)22)15(11-24-26)25-20(28)17(13-7-3-2-4-8-13)27-12-23-14-9-5-6-10-16(14)27/h2-12,17,19H,1H3,(H,25,28)
InChIKeyACZKVQWRKIVZNE-UHFFFAOYSA-N
XLogP3.94
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazol-1-yl)-N-(5-methyl-1-phenylpyrazol-4-yl)-2-phenylacetamide
CID 166230073
1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide
CID 166188378
N-benzhydryl-2-(benzimidazol-1-yl)propanamide
CID 112781098
methyl 2-(5-aminobenzimidazol-1-yl)-2-phenylacetate
CID 62508537
(2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide
CID 94151702
3-(benzimidazol-1-yl)butanoic acid
CID 6486725
N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(methylamino)pyridine-3-carboxamide
CID 138016934
3-(benzimidazol-1-yl)-2-methylbutanoic acid
CID 79391700
ethane;2-(4-oxoquinazolin-3-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 167643351
(2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 39059871
1-(benzimidazol-1-yl)propane-1,2-diol
CID 22018573
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-phenylacetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-phenylacetamide (CID 154858240) is 2-(benzimidazol-1-yl)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-phenylacetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-phenylacetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-phenylacetamide is Cn1ncc(NC(=O)C(c2ccccc2)n2cnc3ccccc32)c1C(F)F.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-phenylacetamide?
The InChIKey is ACZKVQWRKIVZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O/c1-26-18(19(21)22)15(11-24-26)25-20(28)17(13-7-3-2-4-8-13)27-12-23-14-9-5-6-10-16(14)27/h2-12,17,19H,1H3,(H,25,28).
What are the key properties of 2-(benzimidazol-1-yl)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-phenylacetamide?
2-(benzimidazol-1-yl)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-phenylacetamide has a molecular weight of 381.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-phenylacetamide is sourced from PubChem (CID 154858240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).