5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid

C13H10N2O2S — CID 63378048

IUPAC5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cnc3ccccc32)s1
InChIInChI=1S/C13H10N2O2S/c16-13(17)12-6-5-9(18-12)7-15-8-14-10-3-1-2-4-11(10)15/h1-6,8H,7H2,(H,16,17)
InChIKeyKDOOUVWTTQBEPG-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.84
Rot. Bonds3

About 5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid

5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid (PubChem CID 63378048) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid
PubChem CID63378048
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cnc3ccccc32)s1
InChIInChI=1S/C13H10N2O2S/c16-13(17)12-6-5-9(18-12)7-15-8-14-10-3-1-2-4-11(10)15/h1-6,8H,7H2,(H,16,17)
InChIKeyKDOOUVWTTQBEPG-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4,5-dimethylimidazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 63378136
5-[[2-(1-methylbenzimidazol-2-yl)imidazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 56866463
5-[(2-phenylimidazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 63377944
2-[4-(benzimidazol-1-ylmethyl)pyrazol-1-yl]benzoic acid
CID 110097518
5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
CID 55184366
1-[(5-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 62057395
2-(benzimidazol-1-ylmethyl)-6-phenylbenzoic acid
CID 154459870
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
1-(phenylsulfanylmethyl)benzimidazole
CID 1042754
5-(pyrazol-1-ylmethyl)thiophene-2-carboxylic acid
CID 19616663
1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole
CID 18190414
5-[(4-cyanoindol-1-yl)methyl]thiophene-2-carboxylic acid
CID 107918528

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid (CID 63378048) is 5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(Cn2cnc3ccccc32)s1.
What is the InChIKey of 5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid?
The InChIKey is KDOOUVWTTQBEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c16-13(17)12-6-5-9(18-12)7-15-8-14-10-3-1-2-4-11(10)15/h1-6,8H,7H2,(H,16,17).
What are the key properties of 5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid?
5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 63378048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).