6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane

C25H21ClF6N2O — CID 171806446

IUPAC6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane
SMILESCC.COc1ccc(-n2c(C)nc3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)cc1Cl
InChIInChI=1S/C23H15ClF6N2O.C2H6/c1-12-31-19-5-3-13(9-20(19)32(12)17-4-6-21(33-2)18(24)11-17)14-7-15(22(25,26)27)10-16(8-14)23(28,29)30;1-2/h3-11H,1-2H3;1-2H3
InChIKeyGXRJICQYXLJLGY-UHFFFAOYSA-N
MW514.90 g/mol
LogP8.73
Rot. Bonds3

About 6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane

6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane (PubChem CID 171806446) has the molecular formula C25H21ClF6N2O and a molecular weight of 514.90 g/mol. Its IUPAC name is 6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane.

Molecular Properties

Compound Name6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane
PubChem CID171806446
Molecular FormulaC25H21ClF6N2O
Molecular Weight514.90 g/mol
Exact Mass514.12
IUPAC Name6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane
SMILESCC.COc1ccc(-n2c(C)nc3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)cc1Cl
InChIInChI=1S/C23H15ClF6N2O.C2H6/c1-12-31-19-5-3-13(9-20(19)32(12)17-4-6-21(33-2)18(24)11-17)14-7-15(22(25,26)27)10-16(8-14)23(28,29)30;1-2/h3-11H,1-2H3;1-2H3
InChIKeyGXRJICQYXLJLGY-UHFFFAOYSA-N
XLogP8.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.90
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane 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 6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane?
The IUPAC name of 6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane (CID 171806446) is 6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane.
What is the SMILES notation for 6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane?
The canonical SMILES for 6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane is CC.COc1ccc(-n2c(C)nc3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)cc1Cl.
What is the InChIKey of 6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane?
The InChIKey is GXRJICQYXLJLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF6N2O.C2H6/c1-12-31-19-5-3-13(9-20(19)32(12)17-4-6-21(33-2)18(24)11-17)14-7-15(22(25,26)27)10-16(8-14)23(28,29)30;1-2/h3-11H,1-2H3;1-2H3.
What are the key properties of 6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane?
6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane has a molecular weight of 514.90 g/mol, XLogP of 8.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane is sourced from PubChem (CID 171806446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).