1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)benzimidazole

C20H17N3OS — CID 35165696

IUPAC1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)benzimidazole
SMILESCOc1ccc(-n2c(SCc3cccnc3)nc3ccccc32)cc1
InChIInChI=1S/C20H17N3OS/c1-24-17-10-8-16(9-11-17)23-19-7-3-2-6-18(19)22-20(23)25-14-15-5-4-12-21-13-15/h2-13H,14H2,1H3
InChIKeyIYQINFKCFIIOMK-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.72
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)benzimidazole

1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)benzimidazole (PubChem CID 35165696) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)benzimidazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)benzimidazole
PubChem CID35165696
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)benzimidazole
SMILESCOc1ccc(-n2c(SCc3cccnc3)nc3ccccc32)cc1
InChIInChI=1S/C20H17N3OS/c1-24-17-10-8-16(9-11-17)23-19-7-3-2-6-18(19)22-20(23)25-14-15-5-4-12-21-13-15/h2-13H,14H2,1H3
InChIKeyIYQINFKCFIIOMK-UHFFFAOYSA-N
XLogP4.72
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)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

1-(4-methoxyphenyl)-2-[(3-phenoxyphenyl)methylsulfanyl]benzimidazole
CID 4016691
6-(iodomethyl)-1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]benzimidazole
CID 89343110
6-(iodomethyl)-2-[[3-(iodomethyl)phenyl]methylsulfanyl]-1-(4-methoxyphenyl)benzimidazole
CID 89343272
N-[(3-methoxyphenyl)methyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 40550616
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 5220329
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone
CID 4881241
methyl 1-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate
CID 17476695
N-(2,6-difluorophenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 16538555
5-bromo-2-[[4-(iodomethyl)phenyl]methylsulfanyl]-1-(4-methoxyphenyl)benzimidazole
CID 89343122
3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
CID 52566819
N-[4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16538515
2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-6-methylbenzimidazole
CID 143210390

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)benzimidazole?
The IUPAC name of 1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)benzimidazole (CID 35165696) is 1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)benzimidazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)benzimidazole?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)benzimidazole is COc1ccc(-n2c(SCc3cccnc3)nc3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)benzimidazole?
The InChIKey is IYQINFKCFIIOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-24-17-10-8-16(9-11-17)23-19-7-3-2-6-18(19)22-20(23)25-14-15-5-4-12-21-13-15/h2-13H,14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)benzimidazole?
1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)benzimidazole has a molecular weight of 347.44 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)benzimidazole is sourced from PubChem (CID 35165696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).