2-[1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethanol

C23H26N4O3S — CID 23724148

IUPAC2-[1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethanol
SMILESCc1ccc(-c2csc(NC(CO)c3nc4ccccc4n3CCOCCO)n2)cc1
InChIInChI=1S/C23H26N4O3S/c1-16-6-8-17(9-7-16)20-15-31-23(26-20)25-19(14-29)22-24-18-4-2-3-5-21(18)27(22)10-12-30-13-11-28/h2-9,15,19,28-29H,10-14H2,1H3,(H,25,26)
InChIKeyFLVNPJBTCFAPEJ-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.62
Rot. Bonds10

About 2-[1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethanol

2-[1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethanol (PubChem CID 23724148) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-[1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethanol
PubChem CID23724148
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name2-[1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethanol
SMILESCc1ccc(-c2csc(NC(CO)c3nc4ccccc4n3CCOCCO)n2)cc1
InChIInChI=1S/C23H26N4O3S/c1-16-6-8-17(9-7-16)20-15-31-23(26-20)25-19(14-29)22-24-18-4-2-3-5-21(18)27(22)10-12-30-13-11-28/h2-9,15,19,28-29H,10-14H2,1H3,(H,25,26)
InChIKeyFLVNPJBTCFAPEJ-UHFFFAOYSA-N
XLogP3.62
TPSA92.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethanol?
The IUPAC name of 2-[1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethanol (CID 23724148) is 2-[1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-[1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethanol?
The canonical SMILES for 2-[1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethanol is Cc1ccc(-c2csc(NC(CO)c3nc4ccccc4n3CCOCCO)n2)cc1.
What is the InChIKey of 2-[1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethanol?
The InChIKey is FLVNPJBTCFAPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-16-6-8-17(9-7-16)20-15-31-23(26-20)25-19(14-29)22-24-18-4-2-3-5-21(18)27(22)10-12-30-13-11-28/h2-9,15,19,28-29H,10-14H2,1H3,(H,25,26).
What are the key properties of 2-[1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethanol?
2-[1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethanol has a molecular weight of 438.55 g/mol, XLogP of 3.62, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]ethanol is sourced from PubChem (CID 23724148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).