6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole

C16H16N2O2S — CID 752045

IUPAC6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
SMILESCOc1ccc2nc(SCc3ccccc3OC)[nH]c2c1
InChIInChI=1S/C16H16N2O2S/c1-19-12-7-8-13-14(9-12)18-16(17-13)21-10-11-5-3-4-6-15(11)20-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyOSMBPIDSSSRSOX-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.87
Rot. Bonds5

About 6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole

6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole (PubChem CID 752045) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
PubChem CID752045
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
SMILESCOc1ccc2nc(SCc3ccccc3OC)[nH]c2c1
InChIInChI=1S/C16H16N2O2S/c1-19-12-7-8-13-14(9-12)18-16(17-13)21-10-11-5-3-4-6-15(11)20-2/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyOSMBPIDSSSRSOX-UHFFFAOYSA-N
XLogP3.87
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752044
3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 9430026
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 7756067
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 134065477
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
2-[[4-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methylideneamino]guanidine
CID 168592282
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 46620892
3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid
CID 63639169
2-but-3-ynylsulfanyl-6-methoxy-1H-benzimidazole
CID 63655056
[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
CID 63813247
2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-3H-benzimidazol-5-amine
CID 65327093
6-methoxy-2-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methylsulfanyl]-1H-benzimidazole
CID 170863627

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole (CID 752045) is 6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole is COc1ccc2nc(SCc3ccccc3OC)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The InChIKey is OSMBPIDSSSRSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-19-12-7-8-13-14(9-12)18-16(17-13)21-10-11-5-3-4-6-15(11)20-2/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole?
6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole has a molecular weight of 300.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 752045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).