4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine

C24H23F3N4OS — CID 56960828

IUPAC4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCc1c(Cn2c(C)nc3c(-c4nccs4)cc(N4CCOCC4)cc32)cccc1C(F)(F)F
InChIInChI=1S/C24H23F3N4OS/c1-15-17(4-3-5-20(15)24(25,26)27)14-31-16(2)29-22-19(23-28-6-11-33-23)12-18(13-21(22)31)30-7-9-32-10-8-30/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyOERMQMQPNYDVPO-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.68
Rot. Bonds4

About 4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine

4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine (PubChem CID 56960828) has the molecular formula C24H23F3N4OS and a molecular weight of 472.54 g/mol. Its IUPAC name is 4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine
PubChem CID56960828
Molecular FormulaC24H23F3N4OS
Molecular Weight472.54 g/mol
Exact Mass472.15
IUPAC Name4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCc1c(Cn2c(C)nc3c(-c4nccs4)cc(N4CCOCC4)cc32)cccc1C(F)(F)F
InChIInChI=1S/C24H23F3N4OS/c1-15-17(4-3-5-20(15)24(25,26)27)14-31-16(2)29-22-19(23-28-6-11-33-23)12-18(13-21(22)31)30-7-9-32-10-8-30/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyOERMQMQPNYDVPO-UHFFFAOYSA-N
XLogP5.68
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine 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 4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine (CID 56960828) is 4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine is Cc1c(Cn2c(C)nc3c(-c4nccs4)cc(N4CCOCC4)cc32)cccc1C(F)(F)F.
What is the InChIKey of 4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine?
The InChIKey is OERMQMQPNYDVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4OS/c1-15-17(4-3-5-20(15)24(25,26)27)14-31-16(2)29-22-19(23-28-6-11-33-23)12-18(13-21(22)31)30-7-9-32-10-8-30/h3-6,11-13H,7-10,14H2,1-2H3.
What are the key properties of 4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine?
4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine has a molecular weight of 472.54 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 56960828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).