methyl 2-thiophen-2-yl-3H-benzimidazole-5-carboxylate

C13H10N2O2S — CID 3008659

IUPACmethyl 2-thiophen-2-yl-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccs3)[nH]c2c1
InChIInChI=1S/C13H10N2O2S/c1-17-13(16)8-4-5-9-10(7-8)15-12(14-9)11-3-2-6-18-11/h2-7H,1H3,(H,14,15)
InChIKeyNZNZLEFPASZPRT-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.08
Rot. Bonds2

About methyl 2-thiophen-2-yl-3H-benzimidazole-5-carboxylate

methyl 2-thiophen-2-yl-3H-benzimidazole-5-carboxylate (PubChem CID 3008659) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 2-thiophen-2-yl-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-thiophen-2-yl-3H-benzimidazole-5-carboxylate
PubChem CID3008659
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Namemethyl 2-thiophen-2-yl-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccs3)[nH]c2c1
InChIInChI=1S/C13H10N2O2S/c1-17-13(16)8-4-5-9-10(7-8)15-12(14-9)11-3-2-6-18-11/h2-7H,1H3,(H,14,15)
InChIKeyNZNZLEFPASZPRT-UHFFFAOYSA-N
XLogP3.08
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Nocodazole
CID 4122
Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester
CID 55935
2-methyl-1H-1,3-benzodiazole-5-carboxylic acid
CID 1132609
ethyl 2-[4-(1-piperidyl)phenyl]-1H-benzimidazole-5-carboxylate
CID 126720627
ethyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate
CID 44354817
Ethyl 1-ethyl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzimidazole-5-carboxylate
CID 2999624
ethyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate
CID 14471158
methyl 2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-3H-benzimidazole-5-carboxylate
CID 168275892
Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester
CID 55971
methyl 1H-1,3-benzodiazole-5-carboxylate
CID 2779733
propan-2-yl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate
CID 339508
ethyl 2-(ethoxycarbonylamino)-3H-benzimidazole-5-carboxylate
CID 435264

Frequently Asked Questions

What is the IUPAC name of methyl 2-thiophen-2-yl-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-thiophen-2-yl-3H-benzimidazole-5-carboxylate (CID 3008659) is methyl 2-thiophen-2-yl-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-thiophen-2-yl-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-thiophen-2-yl-3H-benzimidazole-5-carboxylate is COC(=O)c1ccc2nc(-c3cccs3)[nH]c2c1.
What is the InChIKey of methyl 2-thiophen-2-yl-3H-benzimidazole-5-carboxylate?
The InChIKey is NZNZLEFPASZPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-17-13(16)8-4-5-9-10(7-8)15-12(14-9)11-3-2-6-18-11/h2-7H,1H3,(H,14,15).
What are the key properties of methyl 2-thiophen-2-yl-3H-benzimidazole-5-carboxylate?
methyl 2-thiophen-2-yl-3H-benzimidazole-5-carboxylate has a molecular weight of 258.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-thiophen-2-yl-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 3008659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).