1-[(2,5-dimethylphenyl)methyl]-2-thiophen-2-ylbenzimidazole

C20H18N2S — CID 7728393

IUPAC1-[(2,5-dimethylphenyl)methyl]-2-thiophen-2-ylbenzimidazole
SMILESCc1ccc(C)c(Cn2c(-c3cccs3)nc3ccccc32)c1
InChIInChI=1S/C20H18N2S/c1-14-9-10-15(2)16(12-14)13-22-18-7-4-3-6-17(18)21-20(22)19-8-5-11-23-19/h3-12H,13H2,1-2H3
InChIKeyQENVLMDTAIJROU-UHFFFAOYSA-N
MW318.45 g/mol
LogP5.43
Rot. Bonds3

About 1-[(2,5-dimethylphenyl)methyl]-2-thiophen-2-ylbenzimidazole

1-[(2,5-dimethylphenyl)methyl]-2-thiophen-2-ylbenzimidazole (PubChem CID 7728393) has the molecular formula C20H18N2S and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-2-thiophen-2-ylbenzimidazole
PubChem CID7728393
Molecular FormulaC20H18N2S
Molecular Weight318.45 g/mol
Exact Mass318.12
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-2-thiophen-2-ylbenzimidazole
SMILESCc1ccc(C)c(Cn2c(-c3cccs3)nc3ccccc32)c1
InChIInChI=1S/C20H18N2S/c1-14-9-10-15(2)16(12-14)13-22-18-7-4-3-6-17(18)21-20(22)19-8-5-11-23-19/h3-12H,13H2,1-2H3
InChIKeyQENVLMDTAIJROU-UHFFFAOYSA-N
XLogP5.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.45
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-2-thiophen-2-ylbenzimidazole (CID 7728393) is 1-[(2,5-dimethylphenyl)methyl]-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-2-thiophen-2-ylbenzimidazole is Cc1ccc(C)c(Cn2c(-c3cccs3)nc3ccccc32)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The InChIKey is QENVLMDTAIJROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2S/c1-14-9-10-15(2)16(12-14)13-22-18-7-4-3-6-17(18)21-20(22)19-8-5-11-23-19/h3-12H,13H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-2-thiophen-2-ylbenzimidazole?
1-[(2,5-dimethylphenyl)methyl]-2-thiophen-2-ylbenzimidazole has a molecular weight of 318.45 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 7728393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).