4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine

C15H22N4OS — CID 106326378

IUPAC4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
SMILESCCOc1cccc2c1nc(N)n2CCN1CCSCC1
InChIInChI=1S/C15H22N4OS/c1-2-20-13-5-3-4-12-14(13)17-15(16)19(12)7-6-18-8-10-21-11-9-18/h3-5H,2,6-11H2,1H3,(H2,16,17)
InChIKeyMWGWMBQPKANPQV-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.07
Rot. Bonds5

About 4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine

4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine (PubChem CID 106326378) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
PubChem CID106326378
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
SMILESCCOc1cccc2c1nc(N)n2CCN1CCSCC1
InChIInChI=1S/C15H22N4OS/c1-2-20-13-5-3-4-12-14(13)17-15(16)19(12)7-6-18-8-10-21-11-9-18/h3-5H,2,6-11H2,1H3,(H2,16,17)
InChIKeyMWGWMBQPKANPQV-UHFFFAOYSA-N
XLogP2.07
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine
CID 106035762
4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine
CID 106019994
4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 113463958
4-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]thiomorpholine
CID 106326615
5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
CID 106326321
4-[2-[2-(chloromethyl)-4-fluorobenzimidazol-1-yl]ethyl]thiomorpholine
CID 106326548
4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 113450500
2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole
CID 113393090
2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide
CID 106346313
1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine
CID 103480612
1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine
CID 107575930
4-bromo-1-propylbenzimidazol-2-amine
CID 84804649

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine?
The IUPAC name of 4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine (CID 106326378) is 4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine is CCOc1cccc2c1nc(N)n2CCN1CCSCC1.
What is the InChIKey of 4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine?
The InChIKey is MWGWMBQPKANPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-2-20-13-5-3-4-12-14(13)17-15(16)19(12)7-6-18-8-10-21-11-9-18/h3-5H,2,6-11H2,1H3,(H2,16,17).
What are the key properties of 4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine?
4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine has a molecular weight of 306.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 106326378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).