2-[(2-chlorophenyl)sulfanylmethyl]-1H-benzimidazole

C14H11ClN2S — CID 1486624

IUPAC2-[(2-chlorophenyl)sulfanylmethyl]-1H-benzimidazole
SMILESClc1ccccc1SCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H11ClN2S/c15-10-5-1-4-8-13(10)18-9-14-16-11-6-2-3-7-12(11)17-14/h1-8H,9H2,(H,16,17)
InChIKeyDTMQMEOJFOYGJG-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.51
Rot. Bonds3

About 2-[(2-chlorophenyl)sulfanylmethyl]-1H-benzimidazole

2-[(2-chlorophenyl)sulfanylmethyl]-1H-benzimidazole (PubChem CID 1486624) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfanylmethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfanylmethyl]-1H-benzimidazole
PubChem CID1486624
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC Name2-[(2-chlorophenyl)sulfanylmethyl]-1H-benzimidazole
SMILESClc1ccccc1SCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H11ClN2S/c15-10-5-1-4-8-13(10)18-9-14-16-11-6-2-3-7-12(11)17-14/h1-8H,9H2,(H,16,17)
InChIKeyDTMQMEOJFOYGJG-UHFFFAOYSA-N
XLogP4.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfanylmethyl]-1H-benzimidazole?
The IUPAC name of 2-[(2-chlorophenyl)sulfanylmethyl]-1H-benzimidazole (CID 1486624) is 2-[(2-chlorophenyl)sulfanylmethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfanylmethyl]-1H-benzimidazole?
The canonical SMILES for 2-[(2-chlorophenyl)sulfanylmethyl]-1H-benzimidazole is Clc1ccccc1SCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(2-chlorophenyl)sulfanylmethyl]-1H-benzimidazole?
The InChIKey is DTMQMEOJFOYGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c15-10-5-1-4-8-13(10)18-9-14-16-11-6-2-3-7-12(11)17-14/h1-8H,9H2,(H,16,17).
What are the key properties of 2-[(2-chlorophenyl)sulfanylmethyl]-1H-benzimidazole?
2-[(2-chlorophenyl)sulfanylmethyl]-1H-benzimidazole has a molecular weight of 274.78 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfanylmethyl]-1H-benzimidazole is sourced from PubChem (CID 1486624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).