4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole

C12H12N4OS — CID 47052836

IUPAC4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole
SMILESCOCCn1c(-c2csnn2)nc2ccccc21
InChIInChI=1S/C12H12N4OS/c1-17-7-6-16-11-5-3-2-4-9(11)13-12(16)10-8-18-15-14-10/h2-5,8H,6-7H2,1H3
InChIKeyQNNBYNVFCZDTRE-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.20
Rot. Bonds4

About 4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole

4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole (PubChem CID 47052836) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole
PubChem CID47052836
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole
SMILESCOCCn1c(-c2csnn2)nc2ccccc21
InChIInChI=1S/C12H12N4OS/c1-17-7-6-16-11-5-3-2-4-9(11)13-12(16)10-8-18-15-14-10/h2-5,8H,6-7H2,1H3
InChIKeyQNNBYNVFCZDTRE-UHFFFAOYSA-N
XLogP2.20
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]ethanamine
CID 66380393
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
CID 2946907
4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
CID 136751423
3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
CID 82809436
4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
CID 136885883
2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
CID 136872120
4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylbutan-2-amine
CID 62389880
2-(2-ethylpyrazol-3-yl)-1-(2-methoxyethyl)benzimidazole
CID 71910610
2-[3-(chloromethyl)phenyl]-1-(2-methoxyethyl)benzimidazole
CID 62388285
2-chloro-6-[1-(2-methoxyethyl)benzimidazol-2-yl]aniline
CID 107049921
1-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996191
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole?
The IUPAC name of 4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole (CID 47052836) is 4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole.
What is the SMILES notation for 4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole?
The canonical SMILES for 4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole is COCCn1c(-c2csnn2)nc2ccccc21.
What is the InChIKey of 4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole?
The InChIKey is QNNBYNVFCZDTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-17-7-6-16-11-5-3-2-4-9(11)13-12(16)10-8-18-15-14-10/h2-5,8H,6-7H2,1H3.
What are the key properties of 4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole?
4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole has a molecular weight of 260.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)benzimidazol-2-yl]thiadiazole is sourced from PubChem (CID 47052836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).