[1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate

C17H13ClF2N2O3 — CID 16624269

IUPAC[1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCc1nc2ccccc2n1C(F)F
InChIInChI=1S/C17H13ClF2N2O3/c1-24-14-7-6-10(18)8-11(14)16(23)25-9-15-21-12-4-2-3-5-13(12)22(15)17(19)20/h2-8,17H,9H2,1H3
InChIKeyIWURPPPWMSPOPZ-UHFFFAOYSA-N
MW366.75 g/mol
LogP4.45
Rot. Bonds5

About [1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate

[1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate (PubChem CID 16624269) has the molecular formula C17H13ClF2N2O3 and a molecular weight of 366.75 g/mol. Its IUPAC name is [1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate
PubChem CID16624269
Molecular FormulaC17H13ClF2N2O3
Molecular Weight366.75 g/mol
Exact Mass366.06
IUPAC Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCc1nc2ccccc2n1C(F)F
InChIInChI=1S/C17H13ClF2N2O3/c1-24-14-7-6-10(18)8-11(14)16(23)25-9-15-21-12-4-2-3-5-13(12)22(15)17(19)20/h2-8,17H,9H2,1H3
InChIKeyIWURPPPWMSPOPZ-UHFFFAOYSA-N
XLogP4.45
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.75
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 16610074
4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide
CID 51127653
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate
CID 16624802
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-fluoro-5-sulfamoylbenzoate
CID 18271109
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate
CID 16624687
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate
CID 16624884
[1-(difluoromethyl)benzimidazol-2-yl]methyl 3-bromo-4-ethoxy-5-methoxybenzoate
CID 16625175
2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole
CID 16625202
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-yloxybenzoate
CID 16610071
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate
CID 16624713
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate
CID 16625572
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 16624732

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate?
The IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate (CID 16624269) is [1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate.
What is the SMILES notation for [1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate?
The canonical SMILES for [1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate is COc1ccc(Cl)cc1C(=O)OCc1nc2ccccc2n1C(F)F.
What is the InChIKey of [1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate?
The InChIKey is IWURPPPWMSPOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O3/c1-24-14-7-6-10(18)8-11(14)16(23)25-9-15-21-12-4-2-3-5-13(12)22(15)17(19)20/h2-8,17H,9H2,1H3.
What are the key properties of [1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate?
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate has a molecular weight of 366.75 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate is sourced from PubChem (CID 16624269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).