[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

CID 974490
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CID 5322344
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CID 673262
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CID 49866087
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CID 137226328
CID 137226328
CID 1091075
CID 1091075
CID 68662593
CID 68662593
CID 25213966
CID 25213966
CID 974491
CID 974491
CID 15129939
CID 15129939
CID 71563192
CID 71563192
CID 135932579
CID 135932579

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).