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

C27H26N4O2S — CID 23724086

IUPAC2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanol
SMILESCOc1ccc(-c2csc(NC(CO)c3nc4ccccc4n3Cc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C27H26N4O2S/c1-18-7-9-19(10-8-18)15-31-25-6-4-3-5-22(25)28-26(31)23(16-32)29-27-30-24(17-34-27)20-11-13-21(33-2)14-12-20/h3-14,17,23,32H,15-16H2,1-2H3,(H,29,30)
InChIKeyJJRCXASOGOJHRF-UHFFFAOYSA-N
MW470.60 g/mol
LogP5.67
Rot. Bonds8

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

2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanol (PubChem CID 23724086) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanol
PubChem CID23724086
Molecular FormulaC27H26N4O2S
Molecular Weight470.60 g/mol
Exact Mass470.18
IUPAC Name2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanol
SMILESCOc1ccc(-c2csc(NC(CO)c3nc4ccccc4n3Cc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C27H26N4O2S/c1-18-7-9-19(10-8-18)15-31-25-6-4-3-5-22(25)28-26(31)23(16-32)29-27-30-24(17-34-27)20-11-13-21(33-2)14-12-20/h3-14,17,23,32H,15-16H2,1-2H3,(H,29,30)
InChIKeyJJRCXASOGOJHRF-UHFFFAOYSA-N
XLogP5.67
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.60
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanol (CID 23724086) is 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanol is COc1ccc(-c2csc(NC(CO)c3nc4ccccc4n3Cc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanol?
The InChIKey is JJRCXASOGOJHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S/c1-18-7-9-19(10-8-18)15-31-25-6-4-3-5-22(25)28-26(31)23(16-32)29-27-30-24(17-34-27)20-11-13-21(33-2)14-12-20/h3-14,17,23,32H,15-16H2,1-2H3,(H,29,30).
What are the key properties of 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanol?
2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanol has a molecular weight of 470.60 g/mol, XLogP of 5.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 23724086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).