2-(2-morpholin-4-ylethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

C22H23F3N6O3 — CID 71267439

IUPAC2-(2-morpholin-4-ylethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCCN3CCOCC3)nc12
InChIInChI=1S/C22H23F3N6O3/c23-22(24,25)16-4-2-1-3-14(16)20(33)28-13-11-15(19(26)32)18-17(12-13)29-21(30-18)27-5-6-31-7-9-34-10-8-31/h1-4,11-12H,5-10H2,(H2,26,32)(H,28,33)(H2,27,29,30)
InChIKeyYQOBWMCFXJKMCP-UHFFFAOYSA-N
MW476.46 g/mol
LogP2.68
Rot. Bonds7

About 2-(2-morpholin-4-ylethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

2-(2-morpholin-4-ylethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (PubChem CID 71267439) has the molecular formula C22H23F3N6O3 and a molecular weight of 476.46 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
PubChem CID71267439
Molecular FormulaC22H23F3N6O3
Molecular Weight476.46 g/mol
Exact Mass476.18
IUPAC Name2-(2-morpholin-4-ylethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCCN3CCOCC3)nc12
InChIInChI=1S/C22H23F3N6O3/c23-22(24,25)16-4-2-1-3-14(16)20(33)28-13-11-15(19(26)32)18-17(12-13)29-21(30-18)27-5-6-31-7-9-34-10-8-31/h1-4,11-12H,5-10H2,(H2,26,32)(H,28,33)(H2,27,29,30)
InChIKeyYQOBWMCFXJKMCP-UHFFFAOYSA-N
XLogP2.68
TPSA125.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90229338
N-(3-chloro-2-methylphenyl)-2-(2-propan-2-yloxyethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71267506
N-(2-morpholin-4-ylethyl)-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46114179
N-cyclohexyl-2-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71532197
N-(3-chloro-2-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90229597
N-(3-chloro-2-methylphenyl)-2-[(2-methoxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90229528
2-amino-3-(2-morpholin-4-ylethylamino)benzamide
CID 113332479
N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 90229340
3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide
CID 152621995
N-(3-chloro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 78058173
N-(3-chloro-2-methylphenyl)-2-(3-hydroxyazetidin-1-yl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide;hydrochloride
CID 90229539
N-(2-fluorophenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 71532252

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (CID 71267439) is 2-(2-morpholin-4-ylethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCCN3CCOCC3)nc12.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
The InChIKey is YQOBWMCFXJKMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O3/c23-22(24,25)16-4-2-1-3-14(16)20(33)28-13-11-15(19(26)32)18-17(12-13)29-21(30-18)27-5-6-31-7-9-34-10-8-31/h1-4,11-12H,5-10H2,(H2,26,32)(H,28,33)(H2,27,29,30).
What are the key properties of 2-(2-morpholin-4-ylethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?
2-(2-morpholin-4-ylethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide has a molecular weight of 476.46 g/mol, XLogP of 2.68, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 71267439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).