1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole

C22H20N2S — CID 4565636

IUPAC1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole
SMILESCc1ccc(CSc2nc3ccccc3n2-c2cccc(C)c2)cc1
InChIInChI=1S/C22H20N2S/c1-16-10-12-18(13-11-16)15-25-22-23-20-8-3-4-9-21(20)24(22)19-7-5-6-17(2)14-19/h3-14H,15H2,1-2H3
InChIKeyHOWNRVBBSNRFTJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP5.93
Rot. Bonds4

About 1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole

1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole (PubChem CID 4565636) has the molecular formula C22H20N2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole
PubChem CID4565636
Molecular FormulaC22H20N2S
Molecular Weight344.48 g/mol
Exact Mass344.13
IUPAC Name1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole
SMILESCc1ccc(CSc2nc3ccccc3n2-c2cccc(C)c2)cc1
InChIInChI=1S/C22H20N2S/c1-16-10-12-18(13-11-16)15-25-22-23-20-8-3-4-9-21(20)24(22)19-7-5-6-17(2)14-19/h3-14H,15H2,1-2H3
InChIKeyHOWNRVBBSNRFTJ-UHFFFAOYSA-N
XLogP5.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.48
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[(4-methylphenyl)methylsulfanyl]benzimidazole
CID 47094789
1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone
CID 4542824
N-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 17437395
2-[(3-methylphenyl)methylsulfanyl]-1-propan-2-ylbenzimidazole
CID 10827803
(Z)-3-amino-2-[2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetyl]but-2-enenitrile
CID 98604745
7-methyl-2-[[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 46814093
3-benzylsulfanyl-4,5-bis(3-methylphenyl)-1,2,4-triazole
CID 42799320
3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole
CID 126111221
3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole
CID 16577944
3-[(4-chlorophenyl)methylsulfanyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole
CID 4823521
3-(3-methylphenyl)-4-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 3493271
1-(4-methoxyphenyl)-2-[(3-phenoxyphenyl)methylsulfanyl]benzimidazole
CID 4016691

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole?
The IUPAC name of 1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole (CID 4565636) is 1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole.
What is the SMILES notation for 1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole?
The canonical SMILES for 1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole is Cc1ccc(CSc2nc3ccccc3n2-c2cccc(C)c2)cc1.
What is the InChIKey of 1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole?
The InChIKey is HOWNRVBBSNRFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2S/c1-16-10-12-18(13-11-16)15-25-22-23-20-8-3-4-9-21(20)24(22)19-7-5-6-17(2)14-19/h3-14H,15H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole?
1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole has a molecular weight of 344.48 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole is sourced from PubChem (CID 4565636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).