6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole

C18H20N2O3S — CID 3343828

IUPAC6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole
SMILESCOc1cc(CSc2nc3ccc(C)cc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O3S/c1-11-5-6-13-14(7-11)20-18(19-13)24-10-12-8-15(21-2)17(23-4)16(9-12)22-3/h5-9H,10H2,1-4H3,(H,19,20)
InChIKeyDJAUNDMLRQINEI-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.19
Rot. Bonds6

About 6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole

6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole (PubChem CID 3343828) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole
PubChem CID3343828
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole
SMILESCOc1cc(CSc2nc3ccc(C)cc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C18H20N2O3S/c1-11-5-6-13-14(7-11)20-18(19-13)24-10-12-8-15(21-2)17(23-4)16(9-12)22-3/h5-9H,10H2,1-4H3,(H,19,20)
InChIKeyDJAUNDMLRQINEI-UHFFFAOYSA-N
XLogP4.19
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62875100
6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 924719
N-methyl-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 62875618
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
6-methyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylsulfanyl]-1H-benzimidazole
CID 113249741
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde
CID 62875439
5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 10020896
2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-6-methyl-1H-benzimidazole
CID 15166311
2-[(6-chloropyridazin-3-yl)methylsulfanyl]-6-methyl-1H-benzimidazole
CID 104514375
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
CID 80613957

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole (CID 3343828) is 6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole is COc1cc(CSc2nc3ccc(C)cc3[nH]2)cc(OC)c1OC.
What is the InChIKey of 6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The InChIKey is DJAUNDMLRQINEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-11-5-6-13-14(7-11)20-18(19-13)24-10-12-8-15(21-2)17(23-4)16(9-12)22-3/h5-9H,10H2,1-4H3,(H,19,20).
What are the key properties of 6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole?
6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole has a molecular weight of 344.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 3343828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).