1-[(3-methylphenyl)methyl]-2-thiophen-2-ylbenzimidazole

C19H16N2S — CID 709502

IUPAC1-[(3-methylphenyl)methyl]-2-thiophen-2-ylbenzimidazole
SMILESCc1cccc(Cn2c(-c3cccs3)nc3ccccc32)c1
InChIInChI=1S/C19H16N2S/c1-14-6-4-7-15(12-14)13-21-17-9-3-2-8-16(17)20-19(21)18-10-5-11-22-18/h2-12H,13H2,1H3
InChIKeyXQCXRUNMZXRZBK-UHFFFAOYSA-N
MW304.42 g/mol
LogP5.12
Rot. Bonds3

About 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylbenzimidazole

1-[(3-methylphenyl)methyl]-2-thiophen-2-ylbenzimidazole (PubChem CID 709502) has the molecular formula C19H16N2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-2-thiophen-2-ylbenzimidazole
PubChem CID709502
Molecular FormulaC19H16N2S
Molecular Weight304.42 g/mol
Exact Mass304.10
IUPAC Name1-[(3-methylphenyl)methyl]-2-thiophen-2-ylbenzimidazole
SMILESCc1cccc(Cn2c(-c3cccs3)nc3ccccc32)c1
InChIInChI=1S/C19H16N2S/c1-14-6-4-7-15(12-14)13-21-17-9-3-2-8-16(17)20-19(21)18-10-5-11-22-18/h2-12H,13H2,1H3
InChIKeyXQCXRUNMZXRZBK-UHFFFAOYSA-N
XLogP5.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.42
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylbenzimidazole (CID 709502) is 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylbenzimidazole is Cc1cccc(Cn2c(-c3cccs3)nc3ccccc32)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The InChIKey is XQCXRUNMZXRZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2S/c1-14-6-4-7-15(12-14)13-21-17-9-3-2-8-16(17)20-19(21)18-10-5-11-22-18/h2-12H,13H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylbenzimidazole?
1-[(3-methylphenyl)methyl]-2-thiophen-2-ylbenzimidazole has a molecular weight of 304.42 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 709502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).