1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole

C13H14N2S — CID 677364

IUPAC1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole
SMILESCN1c2ccccc2N(C)C1c1cccs1
InChIInChI=1S/C13H14N2S/c1-14-10-6-3-4-7-11(10)15(2)13(14)12-8-5-9-16-12/h3-9,13H,1-2H3
InChIKeyOEQXQGXGGOKFFG-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.33
Rot. Bonds1

About 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole

1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole (PubChem CID 677364) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole.

Molecular Properties

Compound Name1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole
PubChem CID677364
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole
SMILESCN1c2ccccc2N(C)C1c1cccs1
InChIInChI=1S/C13H14N2S/c1-14-10-6-3-4-7-11(10)15(2)13(14)12-8-5-9-16-12/h3-9,13H,1-2H3
InChIKeyOEQXQGXGGOKFFG-UHFFFAOYSA-N
XLogP3.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102368959
dimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate
CID 134944273
6-methyl-5-thiophen-2-yl-2,3,4,5-tetrahydro-1,6-benzothiazocine
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1,3-diphenyl-2-thiophen-2-ylimidazolidine
CID 830758
(3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one
CID 122372877
3-methyl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one
CID 115282367
5-propanoyl-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-4-one
CID 166632205
2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 163475702
trimethyl-[[(2S,3R)-1-methyl-3-thiophen-2-ylazaphosphiridin-2-yl]-trimethylsilylmethyl]silane
CID 139161353
5-methyl-2-thiophen-2-yl-2,3-dihydro-1H-benzimidazole
CID 134097067
methyl (1R,3S,3aS,6aS)-5-(2-fluorophenyl)-3-methyl-4,6-dioxo-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3-carboxylate
CID 7402381

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole?
The IUPAC name of 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole (CID 677364) is 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole.
What is the SMILES notation for 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole?
The canonical SMILES for 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole is CN1c2ccccc2N(C)C1c1cccs1.
What is the InChIKey of 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole?
The InChIKey is OEQXQGXGGOKFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-14-10-6-3-4-7-11(10)15(2)13(14)12-8-5-9-16-12/h3-9,13H,1-2H3.
What are the key properties of 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole?
1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole has a molecular weight of 230.34 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole is sourced from PubChem (CID 677364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).