2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid

C13H9ClN2O2S — CID 63891341

IUPAC2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(-c2ccc(Cl)s2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C13H9ClN2O2S/c1-16-9-3-2-7(13(17)18)6-8(9)15-12(16)10-4-5-11(14)19-10/h2-6H,1H3,(H,17,18)
InChIKeyKXUSTTZWKDKOBV-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.65
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid

2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid (PubChem CID 63891341) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid
PubChem CID63891341
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCn1c(-c2ccc(Cl)s2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C13H9ClN2O2S/c1-16-9-3-2-7(13(17)18)6-8(9)15-12(16)10-4-5-11(14)19-10/h2-6H,1H3,(H,17,18)
InChIKeyKXUSTTZWKDKOBV-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 82871862
2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 63893020
2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid
CID 63892639
1-methyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid
CID 63892433
2-(2,4-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 107939577
2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 114373947
2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid
CID 81122968
2-(2-bromo-3-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 107983033
2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid
CID 65210202
2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
CID 126810084
2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid
CID 105063785
3-(5-carbamoyl-1-methylbenzimidazol-2-yl)-4-chloro-1-benzothiophene-2-carboxylic acid
CID 155577470

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid (CID 63891341) is 2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid is Cn1c(-c2ccc(Cl)s2)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid?
The InChIKey is KXUSTTZWKDKOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c1-16-9-3-2-7(13(17)18)6-8(9)15-12(16)10-4-5-11(14)19-10/h2-6H,1H3,(H,17,18).
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid?
2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid has a molecular weight of 292.75 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 63891341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).