5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid

C14H10F2N2O3 — CID 43620983

IUPAC5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(Cn2cnc3cc(F)c(F)cc32)oc1C(=O)O
InChIInChI=1S/C14H10F2N2O3/c1-7-2-8(21-13(7)14(19)20)5-18-6-17-11-3-9(15)10(16)4-12(11)18/h2-4,6H,5H2,1H3,(H,19,20)
InChIKeyZEVIFMPRDBZYOX-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.96
Rot. Bonds3

About 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid

5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 43620983) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
PubChem CID43620983
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(Cn2cnc3cc(F)c(F)cc32)oc1C(=O)O
InChIInChI=1S/C14H10F2N2O3/c1-7-2-8(21-13(7)14(19)20)5-18-6-17-11-3-9(15)10(16)4-12(11)18/h2-4,6H,5H2,1H3,(H,19,20)
InChIKeyZEVIFMPRDBZYOX-UHFFFAOYSA-N
XLogP2.96
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid
CID 43620970
5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 63557187
3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 102685310
3-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 43620966
5,6-difluoro-1-(furan-2-ylmethyl)benzimidazole
CID 113223340
5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 116620901
1-[(1-ethylimidazol-2-yl)methyl]-5,6-difluorobenzimidazole
CID 115616694
3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 60873481
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 61238146
1-(4-acetylpiperazin-1-yl)-3-(5,6-difluorobenzimidazol-1-yl)propan-1-one
CID 56812761
5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole
CID 113357701
3-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-2-carboxylic acid
CID 62968587

Frequently Asked Questions

What is the IUPAC name of 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid (CID 43620983) is 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid is Cc1cc(Cn2cnc3cc(F)c(F)cc32)oc1C(=O)O.
What is the InChIKey of 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is ZEVIFMPRDBZYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c1-7-2-8(21-13(7)14(19)20)5-18-6-17-11-3-9(15)10(16)4-12(11)18/h2-4,6H,5H2,1H3,(H,19,20).
What are the key properties of 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid?
5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 292.24 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 43620983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).