2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole

C15H14N2S — CID 1483865

IUPAC2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole
SMILESCc1ccc(SCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N2S/c1-11-6-8-12(9-7-11)18-10-15-16-13-4-2-3-5-14(13)17-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeySDRFZJATLRBKSA-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.16
Rot. Bonds3

About 2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole

2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole (PubChem CID 1483865) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole
PubChem CID1483865
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole
SMILESCc1ccc(SCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N2S/c1-11-6-8-12(9-7-11)18-10-15-16-13-4-2-3-5-14(13)17-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeySDRFZJATLRBKSA-UHFFFAOYSA-N
XLogP4.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole?
The IUPAC name of 2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole (CID 1483865) is 2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole?
The canonical SMILES for 2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole is Cc1ccc(SCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole?
The InChIKey is SDRFZJATLRBKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-11-6-8-12(9-7-11)18-10-15-16-13-4-2-3-5-14(13)17-15/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole?
2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole has a molecular weight of 254.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfanylmethyl]-1H-benzimidazole is sourced from PubChem (CID 1483865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).