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

C18H13ClN2S — CID 4227677

IUPAC1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole
SMILESClc1cccc(Cn2c(-c3cccs3)nc3ccccc32)c1
InChIInChI=1S/C18H13ClN2S/c19-14-6-3-5-13(11-14)12-21-16-8-2-1-7-15(16)20-18(21)17-9-4-10-22-17/h1-11H,12H2
InChIKeyYDGXONOSXIOZKE-UHFFFAOYSA-N
MW324.84 g/mol
LogP5.47
Rot. Bonds3

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

1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole (PubChem CID 4227677) has the molecular formula C18H13ClN2S and a molecular weight of 324.84 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole
PubChem CID4227677
Molecular FormulaC18H13ClN2S
Molecular Weight324.84 g/mol
Exact Mass324.05
IUPAC Name1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole
SMILESClc1cccc(Cn2c(-c3cccs3)nc3ccccc32)c1
InChIInChI=1S/C18H13ClN2S/c19-14-6-3-5-13(11-14)12-21-16-8-2-1-7-15(16)20-18(21)17-9-4-10-22-17/h1-11H,12H2
InChIKeyYDGXONOSXIOZKE-UHFFFAOYSA-N
XLogP5.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.84
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole (CID 4227677) is 1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole is Clc1cccc(Cn2c(-c3cccs3)nc3ccccc32)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole?
The InChIKey is YDGXONOSXIOZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2S/c19-14-6-3-5-13(11-14)12-21-16-8-2-1-7-15(16)20-18(21)17-9-4-10-22-17/h1-11H,12H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole?
1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole has a molecular weight of 324.84 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 4227677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).