[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate

C14H12F2N4O2 — CID 16625572

IUPAC[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate
SMILESCn1cc(C(=O)OCc2nc3ccccc3n2C(F)F)cn1
InChIInChI=1S/C14H12F2N4O2/c1-19-7-9(6-17-19)13(21)22-8-12-18-10-4-2-3-5-11(10)20(12)14(15)16/h2-7,14H,8H2,1H3
InChIKeyIAIJZEKQVRQFGM-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.52
Rot. Bonds4

About [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate

[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate (PubChem CID 16625572) has the molecular formula C14H12F2N4O2 and a molecular weight of 306.27 g/mol. Its IUPAC name is [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate
PubChem CID16625572
Molecular FormulaC14H12F2N4O2
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate
SMILESCn1cc(C(=O)OCc2nc3ccccc3n2C(F)F)cn1
InChIInChI=1S/C14H12F2N4O2/c1-19-7-9(6-17-19)13(21)22-8-12-18-10-4-2-3-5-11(10)20(12)14(15)16/h2-7,14H,8H2,1H3
InChIKeyIAIJZEKQVRQFGM-UHFFFAOYSA-N
XLogP2.52
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate?
The IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate (CID 16625572) is [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate.
What is the SMILES notation for [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate?
The canonical SMILES for [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate is Cn1cc(C(=O)OCc2nc3ccccc3n2C(F)F)cn1.
What is the InChIKey of [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate?
The InChIKey is IAIJZEKQVRQFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O2/c1-19-7-9(6-17-19)13(21)22-8-12-18-10-4-2-3-5-11(10)20(12)14(15)16/h2-7,14H,8H2,1H3.
What are the key properties of [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate?
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate has a molecular weight of 306.27 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 16625572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).