methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate

C15H11FN2O2 — CID 56737080

IUPACmethyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(F)c3)[nH]c2c1
InChIInChI=1S/C15H11FN2O2/c1-20-15(19)10-5-6-12-13(8-10)18-14(17-12)9-3-2-4-11(16)7-9/h2-8H,1H3,(H,17,18)
InChIKeyXDCPNALRUQXPJL-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.16
Rot. Bonds2

About methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate

methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate (PubChem CID 56737080) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate
PubChem CID56737080
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Namemethyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(F)c3)[nH]c2c1
InChIInChI=1S/C15H11FN2O2/c1-20-15(19)10-5-6-12-13(8-10)18-14(17-12)9-3-2-4-11(16)7-9/h2-8H,1H3,(H,17,18)
InChIKeyXDCPNALRUQXPJL-UHFFFAOYSA-N
XLogP3.16
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-phenoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902843
methyl 2-(3,4-dihydroxyphenyl)-3H-benzimidazole-5-carboxylate
CID 136663209
methyl 2-(3-ethoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902839
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
methyl 2-(4-aminophenyl)-3H-benzimidazole-5-carboxylate
CID 4915421
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656
methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate
CID 5127751
methyl 3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoate
CID 100957972
methyl 2-(4-propoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902829
methyl 2-(2,3-dimethylphenyl)-3H-benzimidazole-5-carboxylate
CID 46995977
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 60534062
methyl 3-fluorobenzoate
CID 521184

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate (CID 56737080) is methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate is COC(=O)c1ccc2nc(-c3cccc(F)c3)[nH]c2c1.
What is the InChIKey of methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate?
The InChIKey is XDCPNALRUQXPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-20-15(19)10-5-6-12-13(8-10)18-14(17-12)9-3-2-4-11(16)7-9/h2-8H,1H3,(H,17,18).
What are the key properties of methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate?
methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate has a molecular weight of 270.26 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 56737080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).