methyl 1-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylate

C16H10F2N4O2 — CID 175716114

IUPACmethyl 1-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)ncn2-c1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C16H10F2N4O2/c1-24-15(23)8-2-3-14-13(4-8)19-7-22(14)16-20-11-5-9(17)10(18)6-12(11)21-16/h2-7H,1H3,(H,20,21)
InChIKeyMZUPCSGJGPQFDR-UHFFFAOYSA-N
MW328.28 g/mol
LogP2.97
Rot. Bonds2

About methyl 1-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylate

methyl 1-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylate (PubChem CID 175716114) has the molecular formula C16H10F2N4O2 and a molecular weight of 328.28 g/mol. Its IUPAC name is methyl 1-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylate
PubChem CID175716114
Molecular FormulaC16H10F2N4O2
Molecular Weight328.28 g/mol
Exact Mass328.08
IUPAC Namemethyl 1-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)ncn2-c1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C16H10F2N4O2/c1-24-15(23)8-2-3-14-13(4-8)19-7-22(14)16-20-11-5-9(17)10(18)6-12(11)21-16/h2-7H,1H3,(H,20,21)
InChIKeyMZUPCSGJGPQFDR-UHFFFAOYSA-N
XLogP2.97
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylate?
The IUPAC name of methyl 1-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylate (CID 175716114) is methyl 1-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)ncn2-c1nc2cc(F)c(F)cc2[nH]1.
What is the InChIKey of methyl 1-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylate?
The InChIKey is MZUPCSGJGPQFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4O2/c1-24-15(23)8-2-3-14-13(4-8)19-7-22(14)16-20-11-5-9(17)10(18)6-12(11)21-16/h2-7H,1H3,(H,20,21).
What are the key properties of methyl 1-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylate?
methyl 1-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylate has a molecular weight of 328.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5,6-difluoro-1H-benzimidazol-2-yl)benzimidazole-5-carboxylate is sourced from PubChem (CID 175716114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).