6-morpholin-4-yl-1-(naphthalen-1-ylmethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid

C24H20F3N3O3 — CID 56960130

IUPAC6-morpholin-4-yl-1-(naphthalen-1-ylmethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCOCC2)cc2c1nc(C(F)(F)F)n2Cc1cccc2ccccc12
InChIInChI=1S/C24H20F3N3O3/c25-24(26,27)23-28-21-19(22(31)32)12-17(29-8-10-33-11-9-29)13-20(21)30(23)14-16-6-3-5-15-4-1-2-7-18(15)16/h1-7,12-13H,8-11,14H2,(H,31,32)
InChIKeyUGCYDNCLMZVNGK-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.79
Rot. Bonds4

About 6-morpholin-4-yl-1-(naphthalen-1-ylmethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid

6-morpholin-4-yl-1-(naphthalen-1-ylmethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid (PubChem CID 56960130) has the molecular formula C24H20F3N3O3 and a molecular weight of 455.44 g/mol. Its IUPAC name is 6-morpholin-4-yl-1-(naphthalen-1-ylmethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-morpholin-4-yl-1-(naphthalen-1-ylmethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
PubChem CID56960130
Molecular FormulaC24H20F3N3O3
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC Name6-morpholin-4-yl-1-(naphthalen-1-ylmethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCOCC2)cc2c1nc(C(F)(F)F)n2Cc1cccc2ccccc12
InChIInChI=1S/C24H20F3N3O3/c25-24(26,27)23-28-21-19(22(31)32)12-17(29-8-10-33-11-9-29)13-20(21)30(23)14-16-6-3-5-15-4-1-2-7-18(15)16/h1-7,12-13H,8-11,14H2,(H,31,32)
InChIKeyUGCYDNCLMZVNGK-UHFFFAOYSA-N
XLogP4.79
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-1-(naphthalen-1-ylmethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 6-morpholin-4-yl-1-(naphthalen-1-ylmethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid (CID 56960130) is 6-morpholin-4-yl-1-(naphthalen-1-ylmethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-morpholin-4-yl-1-(naphthalen-1-ylmethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-morpholin-4-yl-1-(naphthalen-1-ylmethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid is O=C(O)c1cc(N2CCOCC2)cc2c1nc(C(F)(F)F)n2Cc1cccc2ccccc12.
What is the InChIKey of 6-morpholin-4-yl-1-(naphthalen-1-ylmethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid?
The InChIKey is UGCYDNCLMZVNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3/c25-24(26,27)23-28-21-19(22(31)32)12-17(29-8-10-33-11-9-29)13-20(21)30(23)14-16-6-3-5-15-4-1-2-7-18(15)16/h1-7,12-13H,8-11,14H2,(H,31,32).
What are the key properties of 6-morpholin-4-yl-1-(naphthalen-1-ylmethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid?
6-morpholin-4-yl-1-(naphthalen-1-ylmethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid has a molecular weight of 455.44 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-1-(naphthalen-1-ylmethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 56960130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).