1-[[1-(fluoromethyl)cyclopropyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid

C11H11FN2O2S — CID 175792762

IUPAC1-[[1-(fluoromethyl)cyclopropyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid
SMILESO=C(O)c1cc2c(ncn2CC2(CF)CC2)s1
InChIInChI=1S/C11H11FN2O2S/c12-4-11(1-2-11)5-14-6-13-9-7(14)3-8(17-9)10(15)16/h3,6H,1-2,4-5H2,(H,15,16)
InChIKeyRIUMVVLNSTUPJM-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.55
Rot. Bonds4

About 1-[[1-(fluoromethyl)cyclopropyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid

1-[[1-(fluoromethyl)cyclopropyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid (PubChem CID 175792762) has the molecular formula C11H11FN2O2S and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[[1-(fluoromethyl)cyclopropyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(fluoromethyl)cyclopropyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid
PubChem CID175792762
Molecular FormulaC11H11FN2O2S
Molecular Weight254.29 g/mol
Exact Mass254.05
IUPAC Name1-[[1-(fluoromethyl)cyclopropyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid
SMILESO=C(O)c1cc2c(ncn2CC2(CF)CC2)s1
InChIInChI=1S/C11H11FN2O2S/c12-4-11(1-2-11)5-14-6-13-9-7(14)3-8(17-9)10(15)16/h3,6H,1-2,4-5H2,(H,15,16)
InChIKeyRIUMVVLNSTUPJM-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(fluoromethyl)cyclopropyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid?
The IUPAC name of 1-[[1-(fluoromethyl)cyclopropyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid (CID 175792762) is 1-[[1-(fluoromethyl)cyclopropyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid.
What is the SMILES notation for 1-[[1-(fluoromethyl)cyclopropyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid?
The canonical SMILES for 1-[[1-(fluoromethyl)cyclopropyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid is O=C(O)c1cc2c(ncn2CC2(CF)CC2)s1.
What is the InChIKey of 1-[[1-(fluoromethyl)cyclopropyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid?
The InChIKey is RIUMVVLNSTUPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S/c12-4-11(1-2-11)5-14-6-13-9-7(14)3-8(17-9)10(15)16/h3,6H,1-2,4-5H2,(H,15,16).
What are the key properties of 1-[[1-(fluoromethyl)cyclopropyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid?
1-[[1-(fluoromethyl)cyclopropyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(fluoromethyl)cyclopropyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid is sourced from PubChem (CID 175792762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).