1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-yl-2-(trifluoromethyl)benzimidazole-4-carboxamide

C22H20F6N4O2 — CID 56960266

IUPAC1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-yl-2-(trifluoromethyl)benzimidazole-4-carboxamide
SMILESCc1c(Cn2c(C(F)(F)F)nc3c(C(N)=O)cc(N4CCOCC4)cc32)cccc1C(F)(F)F
InChIInChI=1S/C22H20F6N4O2/c1-12-13(3-2-4-16(12)21(23,24)25)11-32-17-10-14(31-5-7-34-8-6-31)9-15(19(29)33)18(17)30-20(32)22(26,27)28/h2-4,9-10H,5-8,11H2,1H3,(H2,29,33)
InChIKeyORNWYPZMBXFZMT-UHFFFAOYSA-N
MW486.42 g/mol
LogP4.37
Rot. Bonds4

About 1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-yl-2-(trifluoromethyl)benzimidazole-4-carboxamide

1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-yl-2-(trifluoromethyl)benzimidazole-4-carboxamide (PubChem CID 56960266) has the molecular formula C22H20F6N4O2 and a molecular weight of 486.42 g/mol. Its IUPAC name is 1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-yl-2-(trifluoromethyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-yl-2-(trifluoromethyl)benzimidazole-4-carboxamide
PubChem CID56960266
Molecular FormulaC22H20F6N4O2
Molecular Weight486.42 g/mol
Exact Mass486.15
IUPAC Name1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-yl-2-(trifluoromethyl)benzimidazole-4-carboxamide
SMILESCc1c(Cn2c(C(F)(F)F)nc3c(C(N)=O)cc(N4CCOCC4)cc32)cccc1C(F)(F)F
InChIInChI=1S/C22H20F6N4O2/c1-12-13(3-2-4-16(12)21(23,24)25)11-32-17-10-14(31-5-7-34-8-6-31)9-15(19(29)33)18(17)30-20(32)22(26,27)28/h2-4,9-10H,5-8,11H2,1H3,(H2,29,33)
InChIKeyORNWYPZMBXFZMT-UHFFFAOYSA-N
XLogP4.37
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-yl-2-(trifluoromethyl)benzimidazole-4-carboxamide?
The IUPAC name of 1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-yl-2-(trifluoromethyl)benzimidazole-4-carboxamide (CID 56960266) is 1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-yl-2-(trifluoromethyl)benzimidazole-4-carboxamide.
What is the SMILES notation for 1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-yl-2-(trifluoromethyl)benzimidazole-4-carboxamide?
The canonical SMILES for 1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-yl-2-(trifluoromethyl)benzimidazole-4-carboxamide is Cc1c(Cn2c(C(F)(F)F)nc3c(C(N)=O)cc(N4CCOCC4)cc32)cccc1C(F)(F)F.
What is the InChIKey of 1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-yl-2-(trifluoromethyl)benzimidazole-4-carboxamide?
The InChIKey is ORNWYPZMBXFZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N4O2/c1-12-13(3-2-4-16(12)21(23,24)25)11-32-17-10-14(31-5-7-34-8-6-31)9-15(19(29)33)18(17)30-20(32)22(26,27)28/h2-4,9-10H,5-8,11H2,1H3,(H2,29,33).
What are the key properties of 1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-yl-2-(trifluoromethyl)benzimidazole-4-carboxamide?
1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-yl-2-(trifluoromethyl)benzimidazole-4-carboxamide has a molecular weight of 486.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-yl-2-(trifluoromethyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 56960266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).