6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole

C20H18N2OS — CID 18879551

IUPAC6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole
SMILESCc1ccc2nc(SCCOc3ccc4ccccc4c3)[nH]c2c1
InChIInChI=1S/C20H18N2OS/c1-14-6-9-18-19(12-14)22-20(21-18)24-11-10-23-17-8-7-15-4-2-3-5-16(15)13-17/h2-9,12-13H,10-11H2,1H3,(H,21,22)
InChIKeyNPHFUVFQHLTXHP-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.20
Rot. Bonds5

About 6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole

6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole (PubChem CID 18879551) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole
PubChem CID18879551
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole
SMILESCc1ccc2nc(SCCOc3ccc4ccccc4c3)[nH]c2c1
InChIInChI=1S/C20H18N2OS/c1-14-6-9-18-19(12-14)22-20(21-18)24-11-10-23-17-8-7-15-4-2-3-5-16(15)13-17/h2-9,12-13H,10-11H2,1H3,(H,21,22)
InChIKeyNPHFUVFQHLTXHP-UHFFFAOYSA-N
XLogP5.20
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-(4-naphthalen-2-yloxybutylsulfanyl)-1H-benzimidazole
CID 18879565
6-ethoxy-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1H-benzimidazole
CID 5169709
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
2-(2-azidoethylsulfanyl)-6-methyl-1H-benzimidazole
CID 62874259
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole
CID 5074084
2-[2-(3-chlorophenoxy)ethylsulfanyl]-1H-benzimidazole
CID 16539500
6-ethoxy-2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 23739518
2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine
CID 55126749
N,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine
CID 70810022
1-[2-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethoxy]phenyl]ethanone
CID 112775404
4-methyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]aniline
CID 63517780

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole?
The IUPAC name of 6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole (CID 18879551) is 6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole is Cc1ccc2nc(SCCOc3ccc4ccccc4c3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole?
The InChIKey is NPHFUVFQHLTXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-14-6-9-18-19(12-14)22-20(21-18)24-11-10-23-17-8-7-15-4-2-3-5-16(15)13-17/h2-9,12-13H,10-11H2,1H3,(H,21,22).
What are the key properties of 6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole?
6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole has a molecular weight of 334.44 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole is sourced from PubChem (CID 18879551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).