2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole

C15H14N2S — CID 673905

IUPAC2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
SMILESCc1cccc(CSc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C15H14N2S/c1-11-5-4-6-12(9-11)10-18-15-16-13-7-2-3-8-14(13)17-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyNHKYIEMLFDDAPD-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.16
Rot. Bonds3

About 2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole

2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole (PubChem CID 673905) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
PubChem CID673905
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
SMILESCc1cccc(CSc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C15H14N2S/c1-11-5-4-6-12(9-11)10-18-15-16-13-7-2-3-8-14(13)17-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyNHKYIEMLFDDAPD-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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Related Compounds

2-[(3-methylphenyl)methylsulfanyl]-1H-benzo[f]benzimidazole
CID 72704442
6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 23739518
2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole
CID 899259
[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62875100
2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole
CID 3012526
[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol
CID 112630397
5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methoxyaniline
CID 28550566
4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylfuran-2-carboxylic acid
CID 539647
2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole
CID 11822979
2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol
CID 84617402
4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylfuran-2-carboxylate
CID 7056112
2-[(4-benzylsulfanyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 54362469

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole (CID 673905) is 2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole is Cc1cccc(CSc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole?
The InChIKey is NHKYIEMLFDDAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-11-5-4-6-12(9-11)10-18-15-16-13-7-2-3-8-14(13)17-15/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole?
2-[(3-methylphenyl)methylsulfanyl]-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-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 673905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).