2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole

C19H18N4O2S — CID 58433289

IUPAC2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole
SMILESCOc1ccc(OC)c(CCc2nnc(-c3ccc4nc[nH]c4c3)s2)c1
InChIInChI=1S/C19H18N4O2S/c1-24-14-5-7-17(25-2)12(9-14)4-8-18-22-23-19(26-18)13-3-6-15-16(10-13)21-11-20-15/h3,5-7,9-11H,4,8H2,1-2H3,(H,20,21)
InChIKeyMNFOQDSKCWTBBI-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.88
Rot. Bonds6

About 2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole

2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole (PubChem CID 58433289) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole
PubChem CID58433289
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole
SMILESCOc1ccc(OC)c(CCc2nnc(-c3ccc4nc[nH]c4c3)s2)c1
InChIInChI=1S/C19H18N4O2S/c1-24-14-5-7-17(25-2)12(9-14)4-8-18-22-23-19(26-18)13-3-6-15-16(10-13)21-11-20-15/h3,5-7,9-11H,4,8H2,1-2H3,(H,20,21)
InChIKeyMNFOQDSKCWTBBI-UHFFFAOYSA-N
XLogP3.88
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3H-benzimidazol-5-yl)-5-[2-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazole
CID 58433251
6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one
CID 135752751
6-(4-methoxyphenoxy)-1H-benzimidazole
CID 59279300
5-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-methoxyphenol
CID 79732174
2-butyl-5-(3-chloro-4-methoxyphenyl)-1,3,4-thiadiazole
CID 58390890
6-methoxy-1H-benzimidazole;4-methyl-1H-benzimidazole
CID 144655270
N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760043
6-(methoxymethoxy)-1H-benzimidazole
CID 141171013
5-[5-[2-(tert-butylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyphenol
CID 79735637
2-(3H-benzimidazol-5-yl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 116886203
2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892604
2-(3H-benzimidazol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82500263

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole (CID 58433289) is 2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole is COc1ccc(OC)c(CCc2nnc(-c3ccc4nc[nH]c4c3)s2)c1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole?
The InChIKey is MNFOQDSKCWTBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-24-14-5-7-17(25-2)12(9-14)4-8-18-22-23-19(26-18)13-3-6-15-16(10-13)21-11-20-15/h3,5-7,9-11H,4,8H2,1-2H3,(H,20,21).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole?
2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole has a molecular weight of 366.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 58433289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).