[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate

C17H14F2N2O3 — CID 16624884

IUPAC[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2nc3ccccc3n2C(F)F)c1O
InChIInChI=1S/C17H14F2N2O3/c1-10-5-4-6-11(15(10)22)16(23)24-9-14-20-12-7-2-3-8-13(12)21(14)17(18)19/h2-8,17,22H,9H2,1H3
InChIKeyNRDAPQHMOSUPMT-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.80
Rot. Bonds4

About [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate

[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate (PubChem CID 16624884) has the molecular formula C17H14F2N2O3 and a molecular weight of 332.31 g/mol. Its IUPAC name is [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate
PubChem CID16624884
Molecular FormulaC17H14F2N2O3
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2nc3ccccc3n2C(F)F)c1O
InChIInChI=1S/C17H14F2N2O3/c1-10-5-4-6-11(15(10)22)16(23)24-9-14-20-12-7-2-3-8-13(12)21(14)17(18)19/h2-8,17,22H,9H2,1H3
InChIKeyNRDAPQHMOSUPMT-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-chloro-2-methoxybenzoate
CID 16624269
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate
CID 16625572
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 16624215
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-fluoro-5-sulfamoylbenzoate
CID 18271109
2-O-[[1-(difluoromethyl)benzimidazol-2-yl]methyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 16625318
[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-(4-methoxyphenyl)acetate
CID 16624713
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 16624732
[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 2-hydroxy-3-methylbenzoate?
The IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate (CID 16624884) is [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCc2nc3ccccc3n2C(F)F)c1O.
What is the InChIKey of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate?
The InChIKey is NRDAPQHMOSUPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3/c1-10-5-4-6-11(15(10)22)16(23)24-9-14-20-12-7-2-3-8-13(12)21(14)17(18)19/h2-8,17,22H,9H2,1H3.
What are the key properties of [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate?
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate has a molecular weight of 332.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 16624884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).