methyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate

C10H9FN2O3 — CID 171655351

IUPACmethyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate
SMILESCOC(=O)c1nc2c(F)cc(O)cc2n1C
InChIInChI=1S/C10H9FN2O3/c1-13-7-4-5(14)3-6(11)8(7)12-9(13)10(15)16-2/h3-4,14H,1-2H3
InChIKeyPWNUYAVDVBJLCJ-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.20
Rot. Bonds1

About methyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate

methyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate (PubChem CID 171655351) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is methyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate
PubChem CID171655351
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Namemethyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate
SMILESCOC(=O)c1nc2c(F)cc(O)cc2n1C
InChIInChI=1S/C10H9FN2O3/c1-13-7-4-5(14)3-6(11)8(7)12-9(13)10(15)16-2/h3-4,14H,1-2H3
InChIKeyPWNUYAVDVBJLCJ-UHFFFAOYSA-N
XLogP1.20
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone
CID 84621348
ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357720
methyl 5-(aminomethyl)-1-methylbenzimidazole-2-carboxylate
CID 84786620
methyl 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylate
CID 146458630
methyl 8-fluoronaphthalene-2-carboxylate
CID 133084151
methyl 2,3,6-trifluoro-4-hydroxybenzoate
CID 131118987
methyl 4-[2-(2,6-difluoro-4-hydroxyphenyl)ethynyl]-3-fluorobenzoate
CID 121271458
methyl 1-ethyl-6-fluorobenzimidazole-2-carboxylate
CID 112617601
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63358168
methyl 3-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]benzoate
CID 56933238
methyl 7-(4-fluorophenyl)-3-methyl-2-propan-2-ylbenzimidazole-5-carboxylate
CID 66690413

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate?
The IUPAC name of methyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate (CID 171655351) is methyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate.
What is the SMILES notation for methyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate?
The canonical SMILES for methyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate is COC(=O)c1nc2c(F)cc(O)cc2n1C.
What is the InChIKey of methyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate?
The InChIKey is PWNUYAVDVBJLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c1-13-7-4-5(14)3-6(11)8(7)12-9(13)10(15)16-2/h3-4,14H,1-2H3.
What are the key properties of methyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate?
methyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate has a molecular weight of 224.19 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-6-hydroxy-1-methylbenzimidazole-2-carboxylate is sourced from PubChem (CID 171655351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).