N-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide

C15H14F3N5O — CID 74247171

IUPACN-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
SMILESCN(CCn1cccn1)C(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C15H14F3N5O/c1-22(7-8-23-6-2-5-19-23)13(24)10-3-4-11-12(9-10)21-14(20-11)15(16,17)18/h2-6,9H,7-8H2,1H3,(H,20,21)
InChIKeyYDUOFVQEQBAXML-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.55
Rot. Bonds4

About N-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide

N-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 74247171) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is N-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
PubChem CID74247171
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC NameN-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
SMILESCN(CCn1cccn1)C(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C15H14F3N5O/c1-22(7-8-23-6-2-5-19-23)13(24)10-3-4-11-12(9-10)21-14(20-11)15(16,17)18/h2-6,9H,7-8H2,1H3,(H,20,21)
InChIKeyYDUOFVQEQBAXML-UHFFFAOYSA-N
XLogP2.55
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide (CID 74247171) is N-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide is CN(CCn1cccn1)C(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1.
What is the InChIKey of N-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is YDUOFVQEQBAXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c1-22(7-8-23-6-2-5-19-23)13(24)10-3-4-11-12(9-10)21-14(20-11)15(16,17)18/h2-6,9H,7-8H2,1H3,(H,20,21).
What are the key properties of N-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
N-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 337.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 74247171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).