N-(2-methoxy-6-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-4-carboxamide

C23H23F3N4O4 — CID 67636531

IUPACN-(2-methoxy-6-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-4-carboxamide
SMILESCOc1cccc(C)c1NC(=O)c1cccc2c1nc(C(F)(F)F)n2CC(=O)N1CCOCC1
InChIInChI=1S/C23H23F3N4O4/c1-14-5-3-8-17(33-2)19(14)27-21(32)15-6-4-7-16-20(15)28-22(23(24,25)26)30(16)13-18(31)29-9-11-34-12-10-29/h3-8H,9-13H2,1-2H3,(H,27,32)
InChIKeyKGCRWRCZLOKXBE-UHFFFAOYSA-N
MW476.46 g/mol
LogP3.48
Rot. Bonds5

About N-(2-methoxy-6-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-4-carboxamide

N-(2-methoxy-6-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-4-carboxamide (PubChem CID 67636531) has the molecular formula C23H23F3N4O4 and a molecular weight of 476.46 g/mol. Its IUPAC name is N-(2-methoxy-6-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-6-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-4-carboxamide
PubChem CID67636531
Molecular FormulaC23H23F3N4O4
Molecular Weight476.46 g/mol
Exact Mass476.17
IUPAC NameN-(2-methoxy-6-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-4-carboxamide
SMILESCOc1cccc(C)c1NC(=O)c1cccc2c1nc(C(F)(F)F)n2CC(=O)N1CCOCC1
InChIInChI=1S/C23H23F3N4O4/c1-14-5-3-8-17(33-2)19(14)27-21(32)15-6-4-7-16-20(15)28-22(23(24,25)26)30(16)13-18(31)29-9-11-34-12-10-29/h3-8H,9-13H2,1-2H3,(H,27,32)
InChIKeyKGCRWRCZLOKXBE-UHFFFAOYSA-N
XLogP3.48
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-6-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-4-carboxamide?
The IUPAC name of N-(2-methoxy-6-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-4-carboxamide (CID 67636531) is N-(2-methoxy-6-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-6-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-4-carboxamide?
The canonical SMILES for N-(2-methoxy-6-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-4-carboxamide is COc1cccc(C)c1NC(=O)c1cccc2c1nc(C(F)(F)F)n2CC(=O)N1CCOCC1.
What is the InChIKey of N-(2-methoxy-6-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-4-carboxamide?
The InChIKey is KGCRWRCZLOKXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O4/c1-14-5-3-8-17(33-2)19(14)27-21(32)15-6-4-7-16-20(15)28-22(23(24,25)26)30(16)13-18(31)29-9-11-34-12-10-29/h3-8H,9-13H2,1-2H3,(H,27,32).
What are the key properties of N-(2-methoxy-6-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-4-carboxamide?
N-(2-methoxy-6-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-4-carboxamide has a molecular weight of 476.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-6-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2-(trifluoromethyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 67636531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).