[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate

C19H18F2N2O2 — CID 16624687

IUPAC[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate
SMILESCC(C)c1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)cc1
InChIInChI=1S/C19H18F2N2O2/c1-12(2)13-7-9-14(10-8-13)18(24)25-11-17-22-15-5-3-4-6-16(15)23(17)19(20)21/h3-10,12,19H,11H2,1-2H3
InChIKeyLMNRHUPKPDNNET-UHFFFAOYSA-N
MW344.36 g/mol
LogP4.91
Rot. Bonds5

About [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate

[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate (PubChem CID 16624687) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate.

Molecular Properties

Compound Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate
PubChem CID16624687
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate
SMILESCC(C)c1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)cc1
InChIInChI=1S/C19H18F2N2O2/c1-12(2)13-7-9-14(10-8-13)18(24)25-11-17-22-15-5-3-4-6-16(15)23(17)19(20)21/h3-10,12,19H,11H2,1-2H3
InChIKeyLMNRHUPKPDNNET-UHFFFAOYSA-N
XLogP4.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-yloxybenzoate
CID 16610071
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate
CID 16625572
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 16624937
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate
CID 16624802
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 16610074
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate
CID 16624884
[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 (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 16625088
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate
CID 16624713
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16625051
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 55507798

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate?
The IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate (CID 16624687) is [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate.
What is the SMILES notation for [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate?
The canonical SMILES for [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate is CC(C)c1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)cc1.
What is the InChIKey of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate?
The InChIKey is LMNRHUPKPDNNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-12(2)13-7-9-14(10-8-13)18(24)25-11-17-22-15-5-3-4-6-16(15)23(17)19(20)21/h3-10,12,19H,11H2,1-2H3.
What are the key properties of [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate?
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate has a molecular weight of 344.36 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate is sourced from PubChem (CID 16624687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).