methyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate

C15H10F2N2O2 — CID 22482462

IUPACmethyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate
SMILESCOC(=O)C1(c2c(F)cccc2F)N=c2ccccc2=N1
InChIInChI=1S/C15H10F2N2O2/c1-21-14(20)15(13-9(16)5-4-6-10(13)17)18-11-7-2-3-8-12(11)19-15/h2-8H,1H3
InChIKeyMYWAWSNXWNDVCX-UHFFFAOYSA-N
MW288.25 g/mol
LogP1.24
Rot. Bonds2

About methyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate

methyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate (PubChem CID 22482462) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is methyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate
PubChem CID22482462
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Namemethyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate
SMILESCOC(=O)C1(c2c(F)cccc2F)N=c2ccccc2=N1
InChIInChI=1S/C15H10F2N2O2/c1-21-14(20)15(13-9(16)5-4-6-10(13)17)18-11-7-2-3-8-12(11)19-15/h2-8H,1H3
InChIKeyMYWAWSNXWNDVCX-UHFFFAOYSA-N
XLogP1.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-fluoro-3-phenylazirine-2-carboxylate
CID 146170098
2-Methyl-4-phenyl-5(4H)-oxazolone
CID 12343188
4-Phenyl-4-prop-2-enyl-2-(trifluoromethyl)-1,3-oxazol-5-one
CID 101682194
Methyl 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate
CID 70100482
2-(2,6-Difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid
CID 70101632
Ethyl 2-(3,4-difluorophenyl)-3,4-dihydropyrrole-2-carboxylate
CID 71205561
Tert-butyl 2-[4-(trifluoromethyl)phenyl]indole-2-carboxylate
CID 150297715
Tert-butyl 2-[(2-fluorophenyl)methyl]indole-2-carboxylate
CID 150525990
3-Tert-butyl-2-(2,4-difluorophenyl)indole-2-carboxylic acid
CID 150932878
Tert-butyl 2-(2,4-difluorophenyl)indole-2-carboxylate
CID 152566495
methyl (2R)-2-(difluoromethyl)-5-phenyl-3,4-dihydropyrrole-2-carboxylate
CID 156775043
2-ethenyl-4-(4-fluorophenyl)-4H-1,3-oxazol-5-one
CID 158678027

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate?
The IUPAC name of methyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate (CID 22482462) is methyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate.
What is the SMILES notation for methyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate?
The canonical SMILES for methyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate is COC(=O)C1(c2c(F)cccc2F)N=c2ccccc2=N1.
What is the InChIKey of methyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate?
The InChIKey is MYWAWSNXWNDVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c1-21-14(20)15(13-9(16)5-4-6-10(13)17)18-11-7-2-3-8-12(11)19-15/h2-8H,1H3.
What are the key properties of methyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate?
methyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate has a molecular weight of 288.25 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate is sourced from PubChem (CID 22482462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).