2-(5-methylthiophen-2-yl)-1H-benzimidazole

C12H10N2S — CID 870214

IUPAC2-(5-methylthiophen-2-yl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3ccccc3[nH]2)s1
InChIInChI=1S/C12H10N2S/c1-8-6-7-11(15-8)12-13-9-4-2-3-5-10(9)14-12/h2-7H,1H3,(H,13,14)
InChIKeyVKEYVDPRFIYFDZ-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.60
Rot. Bonds1

About 2-(5-methylthiophen-2-yl)-1H-benzimidazole

2-(5-methylthiophen-2-yl)-1H-benzimidazole (PubChem CID 870214) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-1H-benzimidazole
PubChem CID870214
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name2-(5-methylthiophen-2-yl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3ccccc3[nH]2)s1
InChIInChI=1S/C12H10N2S/c1-8-6-7-11(15-8)12-13-9-4-2-3-5-10(9)14-12/h2-7H,1H3,(H,13,14)
InChIKeyVKEYVDPRFIYFDZ-UHFFFAOYSA-N
XLogP3.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455824
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole
CID 165348409
5-(1H-benzimidazol-2-yl)-3-methyl-1,2-oxazole
CID 135995577
2-methyl-1H-benzimidazole
CID 11984
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
6-(1H-benzimidazol-2-yl)-2-methyl-1,3-benzothiazole
CID 171981650
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(5-methylthiophen-2-yl)-1H-benzimidazole (CID 870214) is 2-(5-methylthiophen-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-1H-benzimidazole is Cc1ccc(-c2nc3ccccc3[nH]2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-1H-benzimidazole?
The InChIKey is VKEYVDPRFIYFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-8-6-7-11(15-8)12-13-9-4-2-3-5-10(9)14-12/h2-7H,1H3,(H,13,14).
What are the key properties of 2-(5-methylthiophen-2-yl)-1H-benzimidazole?
2-(5-methylthiophen-2-yl)-1H-benzimidazole has a molecular weight of 214.29 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-1H-benzimidazole is sourced from PubChem (CID 870214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).