2-ethyl-1-[3-(4-methoxyphenyl)sulfanylpropyl]-6-methylbenzimidazole

C20H24N2OS — CID 134816368

IUPAC2-ethyl-1-[3-(4-methoxyphenyl)sulfanylpropyl]-6-methylbenzimidazole
SMILESCCc1nc2ccc(C)cc2n1CCCSc1ccc(OC)cc1
InChIInChI=1S/C20H24N2OS/c1-4-20-21-18-11-6-15(2)14-19(18)22(20)12-5-13-24-17-9-7-16(23-3)8-10-17/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyWHSRARXDLGKGGY-UHFFFAOYSA-N
MW340.49 g/mol
LogP5.10
Rot. Bonds7

About 2-ethyl-1-[3-(4-methoxyphenyl)sulfanylpropyl]-6-methylbenzimidazole

2-ethyl-1-[3-(4-methoxyphenyl)sulfanylpropyl]-6-methylbenzimidazole (PubChem CID 134816368) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-ethyl-1-[3-(4-methoxyphenyl)sulfanylpropyl]-6-methylbenzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[3-(4-methoxyphenyl)sulfanylpropyl]-6-methylbenzimidazole
PubChem CID134816368
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-ethyl-1-[3-(4-methoxyphenyl)sulfanylpropyl]-6-methylbenzimidazole
SMILESCCc1nc2ccc(C)cc2n1CCCSc1ccc(OC)cc1
InChIInChI=1S/C20H24N2OS/c1-4-20-21-18-11-6-15(2)14-19(18)22(20)12-5-13-24-17-9-7-16(23-3)8-10-17/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyWHSRARXDLGKGGY-UHFFFAOYSA-N
XLogP5.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-ethyl-6-methylbenzimidazol-1-yl)propyl]-2,4-dimethylaniline
CID 134816365
2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440
1-[3-(4-methoxyphenyl)sulfanylpropyl]-4-(3-methylphenyl)piperazine
CID 10247707
2-ethyl-6-methyl-1-(oxetan-2-ylmethyl)benzimidazole
CID 166715649
1-[4-(2,4-dimethylphenoxy)butyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995939
6-butoxy-1-butyl-2-[2-[4-[4-(4-methylphenyl)butoxy]phenyl]ethyl]benzimidazole
CID 67095641
2-(2-phenylethyl)-1-(3-phenylpropyl)-6-propylsulfanylbenzimidazole
CID 134084001
(1-ethyl-6-methylbenzimidazol-2-yl)methanamine
CID 123207150
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451
N-[2-(diethylamino)ethyl]-4-(4-methoxyphenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 44937615
6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724
2-[(4-chlorophenyl)sulfanylmethyl]-1-[3-(4-ethylphenoxy)propyl]benzimidazole
CID 18878293

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-(4-methoxyphenyl)sulfanylpropyl]-6-methylbenzimidazole?
The IUPAC name of 2-ethyl-1-[3-(4-methoxyphenyl)sulfanylpropyl]-6-methylbenzimidazole (CID 134816368) is 2-ethyl-1-[3-(4-methoxyphenyl)sulfanylpropyl]-6-methylbenzimidazole.
What is the SMILES notation for 2-ethyl-1-[3-(4-methoxyphenyl)sulfanylpropyl]-6-methylbenzimidazole?
The canonical SMILES for 2-ethyl-1-[3-(4-methoxyphenyl)sulfanylpropyl]-6-methylbenzimidazole is CCc1nc2ccc(C)cc2n1CCCSc1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-1-[3-(4-methoxyphenyl)sulfanylpropyl]-6-methylbenzimidazole?
The InChIKey is WHSRARXDLGKGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-4-20-21-18-11-6-15(2)14-19(18)22(20)12-5-13-24-17-9-7-16(23-3)8-10-17/h6-11,14H,4-5,12-13H2,1-3H3.
What are the key properties of 2-ethyl-1-[3-(4-methoxyphenyl)sulfanylpropyl]-6-methylbenzimidazole?
2-ethyl-1-[3-(4-methoxyphenyl)sulfanylpropyl]-6-methylbenzimidazole has a molecular weight of 340.49 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-(4-methoxyphenyl)sulfanylpropyl]-6-methylbenzimidazole is sourced from PubChem (CID 134816368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).