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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-{4-[Amino(imino)methyl]phenyl}-2-thienyl)-1H-benzimidazole-6-carboximidamide dihydrochloride
CID 449090
1-Methyl-2-thiophen-2-ylbenzimidazole
CID 931177
2-Methyl-1-[(2-methylphenyl)methyl]benzimidazole
CID 2139165
1-Isopropyl-2-thiophen-2-yl-1H-benzoimidazole
CID 949166
1-(mesitylmethyl)-1H-benzimidazole
CID 955210
6-Thiophen-2-yl-6,12-dihydrobenzimidazolo[1,2-c]quinazoline
CID 3818611
1-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-N-[(thiophen-2-yl)methyl]piperidine-4-carboxamide
CID 20883057
2-{[(2,5-dimethylbenzyl)thio]methyl}-1H-benzimidazole
CID 955348
1,3-Dimethyl-2-(thiophen-2-YL)-1,3-benzodiazol-1-ium chloride
CID 2866315
1-(prop-2-en-1-yl)-2-(thiophen-2-yl)-1H-1,3-benzodiazole
CID 962267
1-[(2-methylphenyl)methyl]-2-(thiophen-2-yl)-1H-1,3-benzodiazole
CID 962311
1-benzyl-2-thiazol-4-yl-1H-benzoimidazole
CID 11208551

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).