[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

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Related Compounds

[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate
CID 16624687
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-yloxybenzoate
CID 16610071
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate
CID 16624802
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate
CID 16624884
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 16610074
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 16624937
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate
CID 16624269
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-methylsulfanyl-3-nitrobenzoate
CID 16963011
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate
CID 16624713
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 55507798
[1-(difluoromethyl)benzimidazol-2-yl]methyl 3-bromo-4-ethoxy-5-methoxybenzoate
CID 16625175
2-O-[[1-(difluoromethyl)benzimidazol-2-yl]methyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 16625318

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).