methyl 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate

C22H14F4N2O2 — CID 70100482

IUPACmethyl 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate
SMILESCOC(=O)C1(c2c(F)cccc2F)N=c2cccc(Cc3c(F)cccc3F)c2=N1
InChIInChI=1S/C22H14F4N2O2/c1-30-21(29)22(19-16(25)8-4-9-17(19)26)27-18-10-2-5-12(20(18)28-22)11-13-14(23)6-3-7-15(13)24/h2-10H,11H2,1H3
InChIKeyFRVSKRWABZUSKP-UHFFFAOYSA-N
MW414.36 g/mol
LogP3.11
Rot. Bonds4

About methyl 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate

methyl 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate (PubChem CID 70100482) has the molecular formula C22H14F4N2O2 and a molecular weight of 414.36 g/mol. Its IUPAC name is methyl 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate
PubChem CID70100482
Molecular FormulaC22H14F4N2O2
Molecular Weight414.36 g/mol
Exact Mass414.10
IUPAC Namemethyl 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate
SMILESCOC(=O)C1(c2c(F)cccc2F)N=c2cccc(Cc3c(F)cccc3F)c2=N1
InChIInChI=1S/C22H14F4N2O2/c1-30-21(29)22(19-16(25)8-4-9-17(19)26)27-18-10-2-5-12(20(18)28-22)11-13-14(23)6-3-7-15(13)24/h2-10H,11H2,1H3
InChIKeyFRVSKRWABZUSKP-UHFFFAOYSA-N
XLogP3.11
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate with MolForge

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Related Compounds

methyl N-benzhydrylidenephenylglycinate
CID 11151629
4,4-Diphenyl-2-(trifluoromethyl)-1,3-oxazol-5(4H)-one
CID 12412848
ethyl (R,E)-2-((2,6-difluoro-4-oxocyclohexa-2,5-dien-1-ylidene)amino)-2,4-diphenylbut-3-enoate
CID 166436606
Methyl 2-(benzhydrylideneamino)-2-[4-(trifluoromethyl)phenyl]acetate
CID 177855734
Methyl 2-(2,6-difluorophenyl)benzimidazole-2-carboxylate
CID 22482462
Ethyl 4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-2,5-dihydropyrimidine-5-carboxylate
CID 54290895
2-(2,6-Difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylic acid
CID 70101632
Ethyl 2-((diphenylmethylene)amino)-2-(3-fluoro-4-(trifluoromethyl)phenyl)acetate
CID 121361754
3-phenyl-5-[(2,4,5-trifluorophenyl)methyl]-3,6-dihydro-2H-1,4-oxazepin-7-one
CID 123593619
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate?
The IUPAC name of methyl 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate (CID 70100482) is methyl 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate.
What is the SMILES notation for methyl 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate?
The canonical SMILES for methyl 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate is COC(=O)C1(c2c(F)cccc2F)N=c2cccc(Cc3c(F)cccc3F)c2=N1.
What is the InChIKey of methyl 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate?
The InChIKey is FRVSKRWABZUSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N2O2/c1-30-21(29)22(19-16(25)8-4-9-17(19)26)27-18-10-2-5-12(20(18)28-22)11-13-14(23)6-3-7-15(13)24/h2-10H,11H2,1H3.
What are the key properties of methyl 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate?
methyl 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate has a molecular weight of 414.36 g/mol, XLogP of 3.11, 4 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)-4-[(2,6-difluorophenyl)methyl]benzimidazole-2-carboxylate is sourced from PubChem (CID 70100482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).