methyl 7-(4-fluorophenyl)-3-methyl-2-propan-2-ylbenzimidazole-5-carboxylate

C19H19FN2O2 — CID 66690413

IUPACmethyl 7-(4-fluorophenyl)-3-methyl-2-propan-2-ylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)c2nc(C(C)C)n(C)c2c1
InChIInChI=1S/C19H19FN2O2/c1-11(2)18-21-17-15(12-5-7-14(20)8-6-12)9-13(19(23)24-4)10-16(17)22(18)3/h5-11H,1-4H3
InChIKeyMPFFCQDXFLXUEM-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.29
Rot. Bonds3

About methyl 7-(4-fluorophenyl)-3-methyl-2-propan-2-ylbenzimidazole-5-carboxylate

methyl 7-(4-fluorophenyl)-3-methyl-2-propan-2-ylbenzimidazole-5-carboxylate (PubChem CID 66690413) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is methyl 7-(4-fluorophenyl)-3-methyl-2-propan-2-ylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-(4-fluorophenyl)-3-methyl-2-propan-2-ylbenzimidazole-5-carboxylate
PubChem CID66690413
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Namemethyl 7-(4-fluorophenyl)-3-methyl-2-propan-2-ylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)c2nc(C(C)C)n(C)c2c1
InChIInChI=1S/C19H19FN2O2/c1-11(2)18-21-17-15(12-5-7-14(20)8-6-12)9-13(19(23)24-4)10-16(17)22(18)3/h5-11H,1-4H3
InChIKeyMPFFCQDXFLXUEM-UHFFFAOYSA-N
XLogP4.29
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylate
CID 146458630
methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117251991
methyl 5-(4-fluorophenyl)pyridine-3-carboxylate
CID 22743456
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
methyl 5-(4-fluorophenyl)-1-(5-methoxycarbonyl-2-pyridinyl)-6-oxopyridine-3-carboxylate
CID 67337653
ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 144796191
methyl 1-methyl-2-[[(2R)-3-methylbutan-2-yl]amino]benzimidazole-5-carboxylate
CID 69401976
methyl 4-(ethoxymethyl)-3-(4-fluorophenyl)benzoate
CID 134391727
methyl 4-(4-fluorophenyl)-1-methylpyrazole-3-carboxylate
CID 154672739
methyl 3-bromo-5-(4-fluorophenyl)benzoate
CID 69068418
CID 170307924
CID 170307924
methyl 3-fluoro-5-propan-2-ylbenzoate
CID 103186417

Frequently Asked Questions

What is the IUPAC name of methyl 7-(4-fluorophenyl)-3-methyl-2-propan-2-ylbenzimidazole-5-carboxylate?
The IUPAC name of methyl 7-(4-fluorophenyl)-3-methyl-2-propan-2-ylbenzimidazole-5-carboxylate (CID 66690413) is methyl 7-(4-fluorophenyl)-3-methyl-2-propan-2-ylbenzimidazole-5-carboxylate.
What is the SMILES notation for methyl 7-(4-fluorophenyl)-3-methyl-2-propan-2-ylbenzimidazole-5-carboxylate?
The canonical SMILES for methyl 7-(4-fluorophenyl)-3-methyl-2-propan-2-ylbenzimidazole-5-carboxylate is COC(=O)c1cc(-c2ccc(F)cc2)c2nc(C(C)C)n(C)c2c1.
What is the InChIKey of methyl 7-(4-fluorophenyl)-3-methyl-2-propan-2-ylbenzimidazole-5-carboxylate?
The InChIKey is MPFFCQDXFLXUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-11(2)18-21-17-15(12-5-7-14(20)8-6-12)9-13(19(23)24-4)10-16(17)22(18)3/h5-11H,1-4H3.
What are the key properties of methyl 7-(4-fluorophenyl)-3-methyl-2-propan-2-ylbenzimidazole-5-carboxylate?
methyl 7-(4-fluorophenyl)-3-methyl-2-propan-2-ylbenzimidazole-5-carboxylate has a molecular weight of 326.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(4-fluorophenyl)-3-methyl-2-propan-2-ylbenzimidazole-5-carboxylate is sourced from PubChem (CID 66690413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).