2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide

C17H18F3N5O — CID 46974394

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3C)n1
InChIInChI=1S/C17H18F3N5O/c1-9-7-10(2)25(23-9)11(3)15(26)21-12-5-6-14-13(8-12)22-16(24(14)4)17(18,19)20/h5-8,11H,1-4H3,(H,21,26)
InChIKeySKSMYWOYIXABHE-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.61
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide

2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide (PubChem CID 46974394) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide
PubChem CID46974394
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3C)n1
InChIInChI=1S/C17H18F3N5O/c1-9-7-10(2)25(23-9)11(3)15(26)21-12-5-6-14-13(8-12)22-16(24(14)4)17(18,19)20/h5-8,11H,1-4H3,(H,21,26)
InChIKeySKSMYWOYIXABHE-UHFFFAOYSA-N
XLogP3.61
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide (CID 46974394) is 2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide is Cc1cc(C)n(C(C)C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide?
The InChIKey is SKSMYWOYIXABHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c1-9-7-10(2)25(23-9)11(3)15(26)21-12-5-6-14-13(8-12)22-16(24(14)4)17(18,19)20/h5-8,11H,1-4H3,(H,21,26).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide has a molecular weight of 365.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide is sourced from PubChem (CID 46974394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).